#============================================================================== data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 12 _journal_issue 2 _journal_year 2021 _journal_page_first 197 _journal_page_last 203 #============================================================================== data_la4mg30sn _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '0.001(Sn4), 0.007(Sn4), 0.122(La), 0.002(Sn), Mg' _chemical_formula_sum 'La0.122 Mg Sn0.037' _chemical_formula_weight 45.56 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'La' 'La' -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sn' 'Sn' -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system hexagonal _space_group_IT_number 194 _space_group_name_H-M_alt 'P 63/m m c' _space_group_name_Hall '-P 6c 2c' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-y, -x, -z+1/2' '-x+y, y, -z+1/2' 'x, x-y, -z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' 'x, y, -z-1/2' '-y, x-y, -z-1/2' '-x+y, -x, -z-1/2' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' 'y, x, z-1/2' 'x-y, -y, z-1/2' '-x, -x+y, z-1/2' _cell_length_a 10.3911(3) _cell_length_b 10.3911(3) _cell_length_c 10.2702(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 960.36(6) _cell_formula_units_Z 30 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 339 _cell_measurement_theta_min 2.263 _cell_measurement_theta_max 26.334 _exptl_crystal_description 'plate' _exptl_crystal_colour 'metallic dark grey' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 2.364 _exptl_crystal_F_000 623 _exptl_crystal_size_max 0.06 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.02 _exptl_absorpt_coefficient_mu 5.169 _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.723 _exptl_absorpt_correction_T_max 0.886 _exptl_absorpt_process_details '(CrysAlis RED; Oxford Diffraction, 2008)' _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Oxford Diffraction Xcalibur3 CCD' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 5875 _diffrn_reflns_av_unetI/netI 0.0092 _diffrn_reflns_av_R_equivalents 0.0261 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.263 _diffrn_reflns_theta_max 26.334 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 408 _reflns_number_gt 339 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'CrysAlis CCD (Oxford Diffraction, 2008)' _computing_cell_refinement 'CrysAlis CCD (Oxford Diffraction, 2008)' _computing_data_reduction 'CrysAlis RED (Oxford Diffraction, 2008)' _computing_structure_solution 'SHELXS-2014/7 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_molecular_graphics 'DIAMOND (Brandenburg, 2006)' _computing_publication_material 'SHELXL-2014/7 (Sheldrick, 2014)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0193P)^2^+1.4604P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 408 _refine_ls_number_parameters 28 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0241 _refine_ls_R_factor_gt 0.0180 _refine_ls_wR_factor_ref 0.0498 _refine_ls_wR_factor_gt 0.0443 _refine_ls_goodness_of_fit_ref 1.271 _refine_ls_restrained_S_all 1.271 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group La1 La 0.3333 0.6667 0.2500 0.01499(18) Uani 1 12 d S T P . . La2 La 0.0000 0.0000 0.2500 0.0183(2) Uani 0.827(3) 12 d S T . . . Mg1 Mg 0.36045(16) 0.03294(16) 0.2500 0.0246(3) Uani 1 2 d S T P . . Mg2 Mg 0.16402(7) 0.32803(14) 0.02035(13) 0.0221(3) Uani 1 2 d S T P . . Mg3 Mg 0.5000 0.0000 0.0000 0.0195(4) Uani 1 4 d S T P . . Sn1 Sn 0.3333 0.6667 0.6018(2) 0.025 Uiso 0.2174(15) 6 d S U . . . Sn2 Sn 0.0000 0.0000 0.1015(12) 0.027 Uiso 0.0404(12) 6 d S U . . . Sn3 Sn 0.3333 0.6667 0.7500 0.027 Uiso 0.032(2) 12 d S U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 La1 0.0151(2) 0.0151(2) 0.0147(3) 0.000 0.000 0.00757(11) La2 0.0165(2) 0.0165(2) 0.0220(4) 0.000 0.000 0.00824(12) Mg1 0.0395(8) 0.0261(7) 0.0159(6) 0.000 0.000 0.0222(6) Mg2 0.0164(5) 0.0253(7) 0.0277(6) 0.0024(6) 0.0012(3) 0.0126(3) Mg3 0.0156(6) 0.0236(9) 0.0220(8) -0.0010(8) -0.0005(4) 0.0118(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag La1 Sn1 3.613(2) 16_556 ? La1 Sn1 3.613(2) . ? La1 Mg1 3.6732(13) 19_565 ? La1 Mg1 3.6732(13) 1_565 ? La1 Mg1 3.6732(13) 20_665 ? La1 Mg1 3.6732(13) 2 ? La1 Mg1 3.6732(13) 21 ? La1 Mg1 3.6732(13) 3_665 ? La1 Mg2 3.8535(13) 18_566 ? La1 Mg2 3.8535(13) 3_565 ? La1 Mg2 3.8535(13) 17_666 ? La1 Mg2 3.8535(13) . ? La2 Sn2 1.525(12) 16_556 ? La2 Sn2 1.525(12) . ? La2 Mg1 3.5866(14) 21 ? La2 Mg1 3.5866(13) 3 ? La2 Mg1 3.5866(13) 19 ? La2 Mg1 3.5866(13) 20 ? La2 Mg1 3.5866(13) 2 ? La2 Mg1 3.5866(13) . ? La2 Sn2 3.610(12) 4 ? La2 Sn2 3.610(12) 13 ? La2 Mg2 3.7785(13) . ? La2 Mg2 3.7785(13) 16_556 ? Mg1 Mg3 3.0510(7) 4_655 ? Mg1 Mg3 3.0510(7) . ? Mg1 Mg1 3.061(3) 21 ? Mg1 Mg2 3.1210(14) 3 ? Mg1 Mg2 3.1210(14) 18_556 ? Mg1 Sn3 3.1521(16) 13_666 ? Mg1 Mg2 3.1838(13) 5 ? Mg1 Mg2 3.1838(13) 14 ? Mg1 Mg1 3.242(3) 20_655 ? Mg1 La1 3.6732(13) 1_545 ? Mg2 Mg2 2.9814(13) 15 ? Mg2 Mg2 2.9814(13) 14 ? Mg2 Mg3 3.0310(7) 2 ? Mg2 Mg3 3.0310(7) 3_665 ? Mg2 Sn2 3.067(4) . ? Mg2 Mg1 3.1209(14) 2 ? Mg2 Mg1 3.1209(14) 21 ? Mg2 Mg1 3.1838(13) 7 ? Mg2 Mg1 3.1838(13) 15 ? Mg2 Sn2 3.206(5) 13 ? Mg2 Sn1 3.2953(15) 16_556 ? Mg3 Mg2 3.0310(7) 15_655 ? Mg3 Mg2 3.0310(7) 3 ? Mg3 Mg2 3.0310(7) 14 ? Mg3 Mg2 3.0310(7) 2_655 ? Mg3 Mg1 3.0510(7) 8 ? Mg3 Mg1 3.0510(7) 20_655 ? Mg3 Mg1 3.0510(7) 13_655 ? Mg3 Sn1 3.1766(7) 16_546 ? Mg3 Sn1 3.1766(7) 4_664 ? Mg3 La1 3.94847(8) 1_545 ? Mg3 La1 3.94847(8) 13_665 ? Sn1 Sn3 1.522(2) . ? Sn1 Sn1 3.045(4) 16_557 ? Sn1 Mg3 3.1766(7) 5_565 ? Sn1 Mg3 3.1766(7) 4_665 ? Sn1 Mg3 3.1765(7) 6 ? Sn1 Mg2 3.2954(15) 18_566 ? Sn1 Mg2 3.2954(15) 16_556 ? Sn1 Mg2 3.2954(15) 17_666 ? Sn2 Sn2 2.09(2) 13 ? Sn2 Sn2 3.05(2) 16_556 ? Sn2 Mg2 3.067(4) 2 ? Sn2 Mg2 3.067(4) 3 ? Sn2 Mg2 3.206(5) 13 ? Sn2 Mg2 3.206(5) 14 ? Sn2 Mg2 3.206(5) 15 ? Sn2 La2 3.610(12) 13 ? Sn3 Sn1 1.522(2) 16_557 ? Sn3 Mg1 3.1521(16) 8_566 ? Sn3 Mg1 3.1521(16) 14_566 ? Sn3 Mg1 3.1521(16) 13_666 ? Sn3 Mg1 3.1521(16) 7_556 ? Sn3 Mg1 3.1521(16) 15_556 ? Sn3 Mg1 3.1521(16) 9_666 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Sn1 La1 Sn1 180.0 16_556 . ? Sn1 La1 Mg1 90.0 16_556 19_565 ? Sn1 La1 Mg1 90.0 . 19_565 ? Sn1 La1 Mg1 90.0 16_556 1_565 ? Sn1 La1 Mg1 90.0 . 1_565 ? Mg1 La1 Mg1 67.62(5) 19_565 1_565 ? Sn1 La1 Mg1 90.0 16_556 20_665 ? Sn1 La1 Mg1 90.0 . 20_665 ? Mg1 La1 Mg1 120.0 19_565 20_665 ? Mg1 La1 Mg1 52.38(5) 1_565 20_665 ? Sn1 La1 Mg1 90.0 16_556 2 ? Sn1 La1 Mg1 90.0 . 2 ? Mg1 La1 Mg1 52.38(5) 19_565 2 ? Mg1 La1 Mg1 120.0 1_565 2 ? Mg1 La1 Mg1 172.38(5) 20_665 2 ? Sn1 La1 Mg1 90.0 16_556 21 ? Sn1 La1 Mg1 90.0 . 21 ? Mg1 La1 Mg1 120.0 19_565 21 ? Mg1 La1 Mg1 172.38(5) 1_565 21 ? Mg1 La1 Mg1 120.0 20_665 21 ? Mg1 La1 Mg1 67.62(5) 2 21 ? Sn1 La1 Mg1 90.0 16_556 3_665 ? Sn1 La1 Mg1 90.0 . 3_665 ? Mg1 La1 Mg1 172.38(5) 19_565 3_665 ? Mg1 La1 Mg1 120.0 1_565 3_665 ? Mg1 La1 Mg1 67.62(5) 20_665 3_665 ? Mg1 La1 Mg1 120.0 2 3_665 ? Mg1 La1 Mg1 52.38(5) 21 3_665 ? Sn1 La1 Mg2 127.740(19) 16_556 18_566 ? Sn1 La1 Mg2 52.261(19) . 18_566 ? Mg1 La1 Mg2 48.923(18) 19_565 18_566 ? Mg1 La1 Mg2 48.923(18) 1_565 18_566 ? Mg1 La1 Mg2 86.989(18) 20_665 18_566 ? Mg1 La1 Mg2 86.988(18) 2 18_566 ? Mg1 La1 Mg2 135.203(19) 21 18_566 ? Mg1 La1 Mg2 135.204(19) 3_665 18_566 ? Sn1 La1 Mg2 52.262(19) 16_556 3_565 ? Sn1 La1 Mg2 127.739(19) . 3_565 ? Mg1 La1 Mg2 48.923(18) 19_565 3_565 ? Mg1 La1 Mg2 48.923(18) 1_565 3_565 ? Mg1 La1 Mg2 86.989(18) 20_665 3_565 ? Mg1 La1 Mg2 86.988(18) 2 3_565 ? Mg1 La1 Mg2 135.203(19) 21 3_565 ? Mg1 La1 Mg2 135.204(19) 3_665 3_565 ? Mg2 La1 Mg2 75.48(4) 18_566 3_565 ? Sn1 La1 Mg2 127.739(19) 16_556 17_666 ? Sn1 La1 Mg2 52.261(19) . 17_666 ? Mg1 La1 Mg2 135.203(19) 19_565 17_666 ? Mg1 La1 Mg2 86.988(18) 1_565 17_666 ? Mg1 La1 Mg2 48.923(18) 20_665 17_666 ? Mg1 La1 Mg2 135.204(19) 2 17_666 ? Mg1 La1 Mg2 86.989(18) 21 17_666 ? Mg1 La1 Mg2 48.923(19) 3_665 17_666 ? Mg2 La1 Mg2 86.45(3) 18_566 17_666 ? Mg2 La1 Mg2 133.418(13) 3_565 17_666 ? Sn1 La1 Mg2 52.261(19) 16_556 . ? Sn1 La1 Mg2 127.739(19) . . ? Mg1 La1 Mg2 86.988(18) 19_565 . ? Mg1 La1 Mg2 135.204(19) 1_565 . ? Mg1 La1 Mg2 135.204(19) 20_665 . ? Mg1 La1 Mg2 48.923(18) 2 . ? Mg1 La1 Mg2 48.923(19) 21 . ? Mg1 La1 Mg2 86.988(18) 3_665 . ? Mg2 La1 Mg2 133.418(13) 18_566 . ? Mg2 La1 Mg2 86.45(3) 3_565 . ? Mg2 La1 Mg2 133.418(13) 17_666 . ? Sn2 La2 Sn2 180.0 16_556 . ? Sn2 La2 Mg1 90.000(1) 16_556 21 ? Sn2 La2 Mg1 90.000(1) . 21 ? Sn2 La2 Mg1 90.000(1) 16_556 3 ? Sn2 La2 Mg1 90.000(1) . 3 ? Mg1 La2 Mg1 170.52(5) 21 3 ? Sn2 La2 Mg1 90.000(1) 16_556 19 ? Sn2 La2 Mg1 90.0 . 19 ? Mg1 La2 Mg1 120.0 21 19 ? Mg1 La2 Mg1 50.52(5) 3 19 ? Sn2 La2 Mg1 90.0 16_556 20 ? Sn2 La2 Mg1 90.0 . 20 ? Mg1 La2 Mg1 120.0 21 20 ? Mg1 La2 Mg1 69.48(5) 3 20 ? Mg1 La2 Mg1 120.0 19 20 ? Sn2 La2 Mg1 90.0 16_556 2 ? Sn2 La2 Mg1 90.0 . 2 ? Mg1 La2 Mg1 69.48(5) 21 2 ? Mg1 La2 Mg1 120.0 3 2 ? Mg1 La2 Mg1 170.52(5) 19 2 ? Mg1 La2 Mg1 50.52(5) 20 2 ? Sn2 La2 Mg1 90.000(1) 16_556 . ? Sn2 La2 Mg1 90.0 . . ? Mg1 La2 Mg1 50.52(5) 21 . ? Mg1 La2 Mg1 120.0 3 . ? Mg1 La2 Mg1 69.48(5) 19 . ? Mg1 La2 Mg1 170.52(5) 20 . ? Mg1 La2 Mg1 120.0 2 . ? Sn2 La2 Sn2 0.000(1) 16_556 4 ? Sn2 La2 Sn2 180.0 . 4 ? Mg1 La2 Sn2 90.000(1) 21 4 ? Mg1 La2 Sn2 90.000(1) 3 4 ? Mg1 La2 Sn2 90.0 19 4 ? Mg1 La2 Sn2 90.0 20 4 ? Mg1 La2 Sn2 90.0 2 4 ? Mg1 La2 Sn2 90.0 . 4 ? Sn2 La2 Sn2 180.0 16_556 13 ? Sn2 La2 Sn2 0.0 . 13 ? Mg1 La2 Sn2 90.0 21 13 ? Mg1 La2 Sn2 90.0 3 13 ? Mg1 La2 Sn2 90.0 19 13 ? Mg1 La2 Sn2 90.0 20 13 ? Mg1 La2 Sn2 90.0 2 13 ? Mg1 La2 Sn2 90.0 . 13 ? Sn2 La2 Sn2 180.0 4 13 ? Sn2 La2 Mg2 128.62(2) 16_556 . ? Sn2 La2 Mg2 51.376(19) . . ? Mg1 La2 Mg2 50.060(18) 21 . ? Mg1 La2 Mg2 134.955(19) 3 . ? Mg1 La2 Mg2 134.955(19) 19 . ? Mg1 La2 Mg2 86.298(18) 20 . ? Mg1 La2 Mg2 50.060(18) 2 . ? Mg1 La2 Mg2 86.298(18) . . ? Sn2 La2 Mg2 128.624(19) 4 . ? Sn2 La2 Mg2 51.376(19) 13 . ? Sn2 La2 Mg2 51.376(19) 16_556 16_556 ? Sn2 La2 Mg2 128.62(2) . 16_556 ? Mg1 La2 Mg2 50.059(18) 21 16_556 ? Mg1 La2 Mg2 134.955(19) 3 16_556 ? Mg1 La2 Mg2 134.955(19) 19 16_556 ? Mg1 La2 Mg2 86.299(18) 20 16_556 ? Mg1 La2 Mg2 50.060(18) 2 16_556 ? Mg1 La2 Mg2 86.298(18) . 16_556 ? Sn2 La2 Mg2 51.376(19) 4 16_556 ? Sn2 La2 Mg2 128.625(19) 13 16_556 ? Mg2 La2 Mg2 77.25(4) . 16_556 ? Mg3 Mg1 Mg3 114.61(4) 4_655 . ? Mg3 Mg1 Mg1 110.48(2) 4_655 21 ? Mg3 Mg1 Mg1 110.48(2) . 21 ? Mg3 Mg1 Mg2 138.95(5) 4_655 3 ? Mg3 Mg1 Mg2 58.81(2) . 3 ? Mg1 Mg1 Mg2 109.19(3) 21 3 ? Mg3 Mg1 Mg2 58.81(2) 4_655 18_556 ? Mg3 Mg1 Mg2 138.95(5) . 18_556 ? Mg1 Mg1 Mg2 109.19(3) 21 18_556 ? Mg2 Mg1 Mg2 98.18(5) 3 18_556 ? Mg3 Mg1 Sn3 79.05(3) 4_655 13_666 ? Mg3 Mg1 Sn3 79.05(3) . 13_666 ? Mg1 Mg1 Sn3 60.95(2) 21 13_666 ? Mg2 Mg1 Sn3 130.90(3) 3 13_666 ? Mg2 Mg1 Sn3 130.90(3) 18_556 13_666 ? Mg3 Mg1 Mg2 58.128(17) 4_655 5 ? Mg3 Mg1 Mg2 160.01(6) . 5 ? Mg1 Mg1 Mg2 61.27(2) 21 5 ? Mg2 Mg1 Mg2 139.92(6) 3 5 ? Mg2 Mg1 Mg2 56.43(3) 18_556 5 ? Sn3 Mg1 Mg2 81.18(4) 13_666 5 ? Mg3 Mg1 Mg2 160.01(6) 4_655 14 ? Mg3 Mg1 Mg2 58.128(17) . 14 ? Mg1 Mg1 Mg2 61.27(2) 21 14 ? Mg2 Mg1 Mg2 56.43(3) 3 14 ? Mg2 Mg1 Mg2 139.92(6) 18_556 14 ? Sn3 Mg1 Mg2 81.18(4) 13_666 14 ? Mg2 Mg1 Mg2 121.40(5) 5 14 ? Mg3 Mg1 Mg1 57.90(2) 4_655 20_655 ? Mg3 Mg1 Mg1 57.90(2) . 20_655 ? Mg1 Mg1 Mg1 120.0 21 20_655 ? Mg2 Mg1 Mg1 109.03(3) 3 20_655 ? Mg2 Mg1 Mg1 109.03(3) 18_556 20_655 ? Sn3 Mg1 Mg1 59.05(2) 13_666 20_655 ? Mg2 Mg1 Mg1 108.65(3) 5 20_655 ? Mg2 Mg1 Mg1 108.65(3) 14 20_655 ? Mg3 Mg1 La2 121.43(2) 4_655 . ? Mg3 Mg1 La2 121.43(2) . . ? Mg1 Mg1 La2 64.74(2) 21 . ? Mg2 Mg1 La2 68.16(3) 3 . ? Mg2 Mg1 La2 68.16(3) 18_556 . ? Sn3 Mg1 La2 125.69(4) 13_666 . ? Mg2 Mg1 La2 73.26(3) 5 . ? Mg2 Mg1 La2 73.26(3) 14 . ? Mg1 Mg1 La2 175.26(2) 20_655 . ? Mg3 Mg1 La1 71.23(2) 4_655 1_545 ? Mg3 Mg1 La1 71.23(2) . 1_545 ? Mg1 Mg1 La1 176.19(2) 21 1_545 ? Mg2 Mg1 La1 68.55(3) 3 1_545 ? Mg2 Mg1 La1 68.55(3) 18_556 1_545 ? Sn3 Mg1 La1 122.86(4) 13_666 1_545 ? Mg2 Mg1 La1 118.27(3) 5 1_545 ? Mg2 Mg1 La1 118.27(3) 14 1_545 ? Mg1 Mg1 La1 63.81(2) 20_655 1_545 ? La2 Mg1 La1 111.45(4) . 1_545 ? Mg2 Mg2 Mg2 118.07(2) 15 14 ? Mg2 Mg2 Mg3 60.54(2) 15 2 ? Mg2 Mg2 Mg3 167.96(7) 14 2 ? Mg2 Mg2 Mg3 167.96(7) 15 3_665 ? Mg2 Mg2 Mg3 60.54(2) 14 3_665 ? Mg3 Mg2 Mg3 117.98(4) 2 3_665 ? Mg2 Mg2 Sn2 64.00(7) 15 . ? Mg2 Mg2 Sn2 64.00(7) 14 . ? Mg3 Mg2 Sn2 120.67(3) 2 . ? Mg3 Mg2 Sn2 120.67(3) 3_665 . ? Mg2 Mg2 Mg1 62.85(4) 15 2 ? Mg2 Mg2 Mg1 131.82(6) 14 2 ? Mg3 Mg2 Mg1 59.44(2) 2 2 ? Mg3 Mg2 Mg1 127.89(5) 3_665 2 ? Sn2 Mg2 Mg1 78.06(16) . 2 ? Mg2 Mg2 Mg1 131.82(6) 15 21 ? Mg2 Mg2 Mg1 62.85(4) 14 21 ? Mg3 Mg2 Mg1 127.89(5) 2 21 ? Mg3 Mg2 Mg1 59.44(2) 3_665 21 ? Sn2 Mg2 Mg1 78.06(17) . 21 ? Mg1 Mg2 Mg1 81.82(5) 2 21 ? Mg2 Mg2 Mg1 60.72(5) 15 7 ? Mg2 Mg2 Mg1 109.59(6) 14 7 ? Mg3 Mg2 Mg1 58.74(2) 2 7 ? Mg3 Mg2 Mg1 107.76(5) 3_665 7 ? Sn2 Mg2 Mg1 108.98(19) . 7 ? Mg1 Mg2 Mg1 110.14(2) 2 7 ? Mg1 Mg2 Mg1 166.91(5) 21 7 ? Mg2 Mg2 Mg1 109.59(6) 15 15 ? Mg2 Mg2 Mg1 60.72(5) 14 15 ? Mg3 Mg2 Mg1 107.76(5) 2 15 ? Mg3 Mg2 Mg1 58.74(2) 3_665 15 ? Sn2 Mg2 Mg1 108.98(19) . 15 ? Mg1 Mg2 Mg1 166.91(5) 2 15 ? Mg1 Mg2 Mg1 110.14(2) 21 15 ? Mg1 Mg2 Mg1 57.46(5) 7 15 ? Mg2 Mg2 Sn2 59.30(2) 15 13 ? Mg2 Mg2 Sn2 59.30(2) 14 13 ? Mg3 Mg2 Sn2 116.30(6) 2 13 ? Mg3 Mg2 Sn2 116.30(6) 3_665 13 ? Sn2 Mg2 Sn2 38.8(4) . 13 ? Mg1 Mg2 Sn2 107.08(15) 2 13 ? Mg1 Mg2 Sn2 107.08(15) 21 13 ? Mg1 Mg2 Sn2 75.16(18) 7 13 ? Mg1 Mg2 Sn2 75.16(18) 15 13 ? Mg2 Mg2 Sn1 113.86(3) 15 16_556 ? Mg2 Mg2 Sn1 113.86(3) 14 16_556 ? Mg3 Mg2 Sn1 60.11(2) 2 16_556 ? Mg3 Mg2 Sn1 60.11(2) 3_665 16_556 ? Sn2 Mg2 Sn1 173.4(2) . 16_556 ? Mg1 Mg2 Sn1 106.80(5) 2 16_556 ? Mg1 Mg2 Sn1 106.80(5) 21 16_556 ? Mg1 Mg2 Sn1 65.38(5) 7 16_556 ? Mg1 Mg2 Sn1 65.38(5) 15 16_556 ? Sn2 Mg2 Sn1 134.6(2) 13 16_556 ? Mg2 Mg2 La2 72.59(3) 15 . ? Mg2 Mg2 La2 72.59(3) 14 . ? Mg3 Mg2 La2 116.23(2) 2 . ? Mg3 Mg2 La2 116.23(2) 3_665 . ? Sn2 Mg2 La2 22.9(2) . . ? Mg1 Mg2 La2 61.78(3) 2 . ? Mg1 Mg2 La2 61.78(3) 21 . ? Mg1 Mg2 La2 128.02(4) 7 . ? Mg1 Mg2 La2 128.02(4) 15 . ? Sn2 Mg2 La2 61.6(2) 13 . ? Sn1 Mg2 La2 163.75(6) 16_556 . ? Mg2 Mg3 Mg2 180.0 15_655 3 ? Mg2 Mg3 Mg2 121.08(4) 15_655 14 ? Mg2 Mg3 Mg2 58.92(4) 3 14 ? Mg2 Mg3 Mg2 58.92(4) 15_655 2_655 ? Mg2 Mg3 Mg2 121.08(4) 3 2_655 ? Mg2 Mg3 Mg2 180.00(3) 14 2_655 ? Mg2 Mg3 Mg1 118.25(4) 15_655 . ? Mg2 Mg3 Mg1 61.75(4) 3 . ? Mg2 Mg3 Mg1 63.13(3) 14 . ? Mg2 Mg3 Mg1 116.87(3) 2_655 . ? Mg2 Mg3 Mg1 116.87(3) 15_655 8 ? Mg2 Mg3 Mg1 63.13(3) 3 8 ? Mg2 Mg3 Mg1 61.75(4) 14 8 ? Mg2 Mg3 Mg1 118.25(4) 2_655 8 ? Mg1 Mg3 Mg1 115.80(4) . 8 ? Mg2 Mg3 Mg1 63.13(3) 15_655 20_655 ? Mg2 Mg3 Mg1 116.87(3) 3 20_655 ? Mg2 Mg3 Mg1 118.25(4) 14 20_655 ? Mg2 Mg3 Mg1 61.75(4) 2_655 20_655 ? Mg1 Mg3 Mg1 64.20(4) . 20_655 ? Mg1 Mg3 Mg1 180.00(6) 8 20_655 ? Mg2 Mg3 Mg1 61.75(4) 15_655 13_655 ? Mg2 Mg3 Mg1 118.25(4) 3 13_655 ? Mg2 Mg3 Mg1 116.87(3) 14 13_655 ? Mg2 Mg3 Mg1 63.13(3) 2_655 13_655 ? Mg1 Mg3 Mg1 180.0 . 13_655 ? Mg1 Mg3 Mg1 64.20(4) 8 13_655 ? Mg1 Mg3 Mg1 115.80(4) 20_655 13_655 ? Mg2 Mg3 Sn1 115.92(2) 15_655 16_546 ? Mg2 Mg3 Sn1 64.08(2) 3 16_546 ? Mg2 Mg3 Sn1 115.92(2) 14 16_546 ? Mg2 Mg3 Sn1 64.08(2) 2_655 16_546 ? Mg1 Mg3 Sn1 111.63(4) . 16_546 ? Mg1 Mg3 Sn1 68.37(4) 8 16_546 ? Mg1 Mg3 Sn1 111.63(4) 20_655 16_546 ? Mg1 Mg3 Sn1 68.37(4) 13_655 16_546 ? Mg2 Mg3 Sn1 64.08(2) 15_655 4_664 ? Mg2 Mg3 Sn1 115.92(2) 3 4_664 ? Mg2 Mg3 Sn1 64.08(2) 14 4_664 ? Mg2 Mg3 Sn1 115.92(2) 2_655 4_664 ? Mg1 Mg3 Sn1 68.37(4) . 4_664 ? Mg1 Mg3 Sn1 111.63(4) 8 4_664 ? Mg1 Mg3 Sn1 68.37(4) 20_655 4_664 ? Mg1 Mg3 Sn1 111.63(4) 13_655 4_664 ? Sn1 Mg3 Sn1 180.0 16_546 4_664 ? Mg2 Mg3 La1 114.50(2) 15_655 1_545 ? Mg2 Mg3 La1 65.50(2) 3 1_545 ? Mg2 Mg3 La1 114.51(2) 14 1_545 ? Mg2 Mg3 La1 65.49(2) 2_655 1_545 ? Mg1 Mg3 La1 61.74(2) . 1_545 ? Mg1 Mg3 La1 118.26(2) 8 1_545 ? Mg1 Mg3 La1 61.74(2) 20_655 1_545 ? Mg1 Mg3 La1 118.26(2) 13_655 1_545 ? Sn1 Mg3 La1 59.77(4) 16_546 1_545 ? Sn1 Mg3 La1 120.23(4) 4_664 1_545 ? Mg2 Mg3 La1 65.50(2) 15_655 13_665 ? Mg2 Mg3 La1 114.50(2) 3 13_665 ? Mg2 Mg3 La1 65.49(2) 14 13_665 ? Mg2 Mg3 La1 114.51(2) 2_655 13_665 ? Mg1 Mg3 La1 118.26(2) . 13_665 ? Mg1 Mg3 La1 61.74(2) 8 13_665 ? Mg1 Mg3 La1 118.26(2) 20_655 13_665 ? Mg1 Mg3 La1 61.74(2) 13_655 13_665 ? Sn1 Mg3 La1 120.23(4) 16_546 13_665 ? Sn1 Mg3 La1 59.77(4) 4_664 13_665 ? La1 Mg3 La1 180.0 1_545 13_665 ? Sn3 Sn1 Sn1 0.0 . 16_557 ? Sn3 Sn1 Mg3 109.21(4) . 5_565 ? Sn1 Sn1 Mg3 109.21(4) 16_557 5_565 ? Sn3 Sn1 Mg3 109.21(4) . 4_665 ? Sn1 Sn1 Mg3 109.21(4) 16_557 4_665 ? Mg3 Sn1 Mg3 109.73(4) 5_565 4_665 ? Sn3 Sn1 Mg3 109.21(4) . 6 ? Sn1 Sn1 Mg3 109.21(4) 16_557 6 ? Mg3 Sn1 Mg3 109.73(4) 5_565 6 ? Mg3 Sn1 Mg3 109.73(4) 4_665 6 ? Sn3 Sn1 Mg2 112.37(4) . 18_566 ? Sn1 Sn1 Mg2 112.37(4) 16_557 18_566 ? Mg3 Sn1 Mg2 55.815(15) 5_565 18_566 ? Mg3 Sn1 Mg2 55.816(15) 4_665 18_566 ? Mg3 Sn1 Mg2 138.42(8) 6 18_566 ? Sn3 Sn1 Mg2 112.37(4) . 16_556 ? Sn1 Sn1 Mg2 112.37(4) 16_557 16_556 ? Mg3 Sn1 Mg2 55.816(15) 5_565 16_556 ? Mg3 Sn1 Mg2 138.42(8) 4_665 16_556 ? Mg3 Sn1 Mg2 55.815(15) 6 16_556 ? Mg2 Sn1 Mg2 106.42(5) 18_566 16_556 ? Sn3 Sn1 Mg2 112.37(4) . 17_666 ? Sn1 Sn1 Mg2 112.37(4) 16_557 17_666 ? Mg3 Sn1 Mg2 138.42(8) 5_565 17_666 ? Mg3 Sn1 Mg2 55.815(15) 4_665 17_666 ? Mg3 Sn1 Mg2 55.816(15) 6 17_666 ? Mg2 Sn1 Mg2 106.42(5) 18_566 17_666 ? Mg2 Sn1 Mg2 106.42(5) 16_556 17_666 ? Sn3 Sn1 La1 180.0 . . ? Sn1 Sn1 La1 180.0 16_557 . ? Mg3 Sn1 La1 70.79(4) 5_565 . ? Mg3 Sn1 La1 70.79(4) 4_665 . ? Mg3 Sn1 La1 70.79(4) 6 . ? Mg2 Sn1 La1 67.63(4) 18_566 . ? Mg2 Sn1 La1 67.63(4) 16_556 . ? Mg2 Sn1 La1 67.63(4) 17_666 . ? La2 Sn2 Sn2 180.0 . 13 ? La2 Sn2 Sn2 0.0 . 16_556 ? Sn2 Sn2 Sn2 180.0 13 16_556 ? La2 Sn2 Mg2 105.8(2) . . ? Sn2 Sn2 Mg2 74.2(2) 13 . ? Sn2 Sn2 Mg2 105.8(2) 16_556 . ? La2 Sn2 Mg2 105.8(2) . 2 ? Sn2 Sn2 Mg2 74.2(2) 13 2 ? Sn2 Sn2 Mg2 105.8(2) 16_556 2 ? Mg2 Sn2 Mg2 112.90(19) . 2 ? La2 Sn2 Mg2 105.8(2) . 3 ? Sn2 Sn2 Mg2 74.2(2) 13 3 ? Sn2 Sn2 Mg2 105.8(2) 16_556 3 ? Mg2 Sn2 Mg2 112.90(19) . 3 ? Mg2 Sn2 Mg2 112.90(19) 2 3 ? La2 Sn2 Mg2 113.0(2) . 13 ? Sn2 Sn2 Mg2 67.0(2) 13 13 ? Sn2 Sn2 Mg2 113.0(2) 16_556 13 ? Mg2 Sn2 Mg2 141.2(4) . 13 ? Mg2 Sn2 Mg2 56.69(8) 2 13 ? Mg2 Sn2 Mg2 56.69(8) 3 13 ? La2 Sn2 Mg2 113.0(2) . 14 ? Sn2 Sn2 Mg2 67.0(2) 13 14 ? Sn2 Sn2 Mg2 113.0(2) 16_556 14 ? Mg2 Sn2 Mg2 56.69(8) . 14 ? Mg2 Sn2 Mg2 141.2(4) 2 14 ? Mg2 Sn2 Mg2 56.69(8) 3 14 ? Mg2 Sn2 Mg2 105.7(2) 13 14 ? La2 Sn2 Mg2 113.0(2) . 15 ? Sn2 Sn2 Mg2 67.0(2) 13 15 ? Sn2 Sn2 Mg2 113.0(2) 16_556 15 ? Mg2 Sn2 Mg2 56.69(8) . 15 ? Mg2 Sn2 Mg2 56.69(8) 2 15 ? Mg2 Sn2 Mg2 141.2(4) 3 15 ? Mg2 Sn2 Mg2 105.7(2) 13 15 ? Mg2 Sn2 Mg2 105.7(2) 14 15 ? La2 Sn2 La2 180.0 . 13 ? Sn2 Sn2 La2 0.0 13 13 ? Sn2 Sn2 La2 180.0 16_556 13 ? Mg2 Sn2 La2 74.2(2) . 13 ? Mg2 Sn2 La2 74.2(2) 2 13 ? Mg2 Sn2 La2 74.2(2) 3 13 ? Mg2 Sn2 La2 67.0(2) 13 13 ? Mg2 Sn2 La2 67.0(2) 14 13 ? Mg2 Sn2 La2 67.0(2) 15 13 ? Sn1 Sn3 Sn1 180.0 16_557 . ? Sn1 Sn3 Mg1 90.0 16_557 8_566 ? Sn1 Sn3 Mg1 90.0 . 8_566 ? Sn1 Sn3 Mg1 90.002(1) 16_557 14_566 ? Sn1 Sn3 Mg1 90.000(1) . 14_566 ? Mg1 Sn3 Mg1 58.10(4) 8_566 14_566 ? Sn1 Sn3 Mg1 90.000(1) 16_557 13_666 ? Sn1 Sn3 Mg1 90.000(1) . 13_666 ? Mg1 Sn3 Mg1 61.90(4) 8_566 13_666 ? Mg1 Sn3 Mg1 120.0 14_566 13_666 ? Sn1 Sn3 Mg1 90.000(1) 16_557 7_556 ? Sn1 Sn3 Mg1 90.000(1) . 7_556 ? Mg1 Sn3 Mg1 120.0 8_566 7_556 ? Mg1 Sn3 Mg1 61.90(4) 14_566 7_556 ? Mg1 Sn3 Mg1 178.10(4) 13_666 7_556 ? Sn1 Sn3 Mg1 90.0 16_557 15_556 ? Sn1 Sn3 Mg1 90.0 . 15_556 ? Mg1 Sn3 Mg1 178.10(4) 8_566 15_556 ? Mg1 Sn3 Mg1 120.0 14_566 15_556 ? Mg1 Sn3 Mg1 120.0 13_666 15_556 ? Mg1 Sn3 Mg1 58.10(4) 7_556 15_556 ? Sn1 Sn3 Mg1 89.998(1) 16_557 9_666 ? Sn1 Sn3 Mg1 90.000(1) . 9_666 ? Mg1 Sn3 Mg1 120.0 8_566 9_666 ? Mg1 Sn3 Mg1 178.10(4) 14_566 9_666 ? Mg1 Sn3 Mg1 58.10(4) 13_666 9_666 ? Mg1 Sn3 Mg1 120.0 7_556 9_666 ? Mg1 Sn3 Mg1 61.90(4) 15_556 9_666 ? _refine_diff_density_max 0.336 _refine_diff_density_min -0.856 _refine_diff_density_rms 0.088 _shelx_res_file ; la2mg17snx.res created by SHELXL-2014/7 TITL la20sn6mg74 in P6(3)/mmc REM P6(3)/mmc (#194 in standard setting) CELL 0.71073 10.3911 10.3911 10.2702 90.0000 90.0000 120.0000 ZERR 4.00 0.0003 0.0003 0.0003 0.0000 0.0000 0.0000 LATT 1 SYMM -y, x-y, z SYMM -x+y,-x, z SYMM -x,-y, z+1/2 SYMM y,-x+y, z+1/2 SYMM x-y, x, z+1/2 SYMM y, x,-z SYMM x-y,-y,-z SYMM -x,-x+y,-z SYMM -y,-x,-z+1/2 SYMM -x+y, y,-z+1/2 SYMM x, x-y,-z+1/2 SFAC LA MG SN UNIT 4 34 2 L.S. 4 BOND FMAP 2 PLAN 20 MERG 2 shel 0.8 10 acta eadp Mg Sn exyz Mg Sn WGHT 0.019300 1.460400 FVAR 2.84073 0.03095 LA1 1 0.333333 0.666667 0.250000 10.08333 0.01515 0.01515 = 0.01467 0.00000 0.00000 0.00757 LA2 1 0.000000 0.000000 0.250000 0.06890 0.01648 0.01648 = 0.02195 0.00000 0.00000 0.00824 MG1 2 0.360453 0.032938 0.250000 10.50000 0.03951 0.02605 = 0.01594 0.00000 0.00000 0.02221 MG2 2 0.164016 0.328033 0.020348 10.50000 0.01636 0.02526 = 0.02770 0.00237 0.00118 0.01263 MG3 2 0.500000 0.000000 0.000000 10.25000 0.01564 0.02358 = 0.02196 -0.00101 -0.00050 0.01179 SN1 3 0.333333 0.666667 0.601775 0.03624 10.02462 SN2 3 0.000000 0.000000 0.101537 0.00673 10.02664 SN3 3 0.333333 0.666667 0.750000 0.00268 10.02700 HKLF4 REM la20sn6mg74 in P6(3)/mmc REM R1 = 0.0180 for 339 Fo > 4sig(Fo) and 0.0241 for all 408 data REM 28 parameters refined using 0 restraints END WGHT 0.0186 1.4810 REM Highest difference peak 0.336, deepest hole -0.856, 1-sigma level 0.088 Q1 1 0.2545 0.0004 0.2500 10.50000 0.05 0.34 Q2 1 0.2847 0.5695 0.2500 10.25000 0.05 0.33 Q3 1 0.4124 0.8247 0.6278 10.50000 0.05 0.30 Q4 1 0.3915 0.7829 0.7500 10.25000 0.05 0.27 Q5 1 0.4453 0.2227 0.2500 10.25000 0.05 0.27 Q6 1 0.3925 0.7850 0.2500 10.25000 0.05 0.25 Q7 1 0.2773 0.5546 0.7884 10.50000 0.05 0.25 Q8 1 -0.0629 -0.1257 0.0772 10.50000 0.05 0.24 Q9 1 0.3333 0.6667 0.1590 10.16667 0.05 0.24 Q10 1 0.0192 0.0384 0.1431 10.50000 0.05 0.24 Q11 1 0.5574 0.1147 0.2500 10.25000 0.05 0.23 Q12 1 0.4818 0.1441 0.1936 11.00000 0.05 0.20 Q13 1 0.4380 -0.1241 0.0645 10.50000 0.05 0.19 Q14 1 0.2284 0.4568 0.1576 10.50000 0.05 0.19 Q15 1 0.1283 0.2566 0.0705 10.50000 0.05 0.19 Q16 1 0.2580 0.5159 0.6036 10.50000 0.05 0.18 Q17 1 0.2037 0.5248 0.0796 11.00000 0.05 0.18 Q18 1 0.2397 0.4795 0.0553 10.50000 0.05 0.18 Q19 1 -0.0612 -0.1224 0.2068 10.50000 0.05 0.17 Q20 1 0.1692 0.3384 0.1171 10.50000 0.05 0.17 ; _shelx_res_checksum 45716 _shelx_hkl_file ; 0 0 -2 118575. 2524.29 0 0 0 -2 118206. 1811.60 2 0 0 -3 149.129 154.340 0 0 0 -3 99.5021 291.877 2 0 0 -4 999999. 7082.82 2 0 0 -4 999554. 10428.2 0 0 0 -5 23.4623 68.9035 2 0 0 -5 87.8569 67.0241 0 0 0 -6 162033. 1309.36 0 0 0 -6 158083. 3261.94 2 0 0 -7 21.7092 249.472 2 0 0 -7 256.424 136.189 0 0 0 8 437070. 10757.0 1 0 0 -8 425404. 5581.36 2 0 0 -8 429972. 9999.13 0 0 0 -9 245.449 174.121 0 0 0 9 604.126 200.577 1 0 0 -10 51113.3 1019.19 0 0 0 10 51143.4 1112.05 1 0 0 -11 18.8114 143.654 0 0 0 11 138.247 959.819 1 0 0 12 115118. 1888.44 1 0 0 -12 102633. 1606.16 0 0 0 -13-44.5776 688.230 0 0 0 13-166.406 312.166 1 0 0 14 46930.5 1423.19 1 0 0 -14 43556.9 1196.62 0 1 -1 15 896.463 916.381 1 0 1 14-244.452 244.870 1 0 -1 -14-170.304 360.898 0 1 0 -14-183.141 270.887 0 1 -1 14-200.741 499.154 1 0 -1 -13 3265.65 468.819 0 1 0 -13 3587.71 481.170 0 -1 0 13 4408.24 609.329 1 1 -1 13 4247.19 628.970 1 0 1 13 4565.01 577.094 1 -1 0 12-243.946 227.329 1 -1 1 -12-200.321 236.146 0 1 -1 12 286.491 450.820 1 0 -1 -12-122.244 194.432 0 1 0 -12-56.8712 156.485 0 1 0 -11 6462.88 474.281 0 -1 0 11 7044.78 530.686 1 0 -1 -11 6831.70 482.920 0 -1 1 -11 7359.99 450.019 0 0 1 11 6909.48 536.095 1 1 -1 11 6821.91 552.136 1 0 1 10 2407.02 365.108 1 1 0 -10 2167.75 322.401 0 1 -1 10 2639.26 411.176 1 -1 0 10 2213.97 382.328 1 -1 1 -10 2436.68 310.544 0 0 -1 -10 2370.13 325.054 0 0 -1 -9 25734.4 709.799 0 1 0 -9 27391.4 507.006 2 1 0 -9 27656.1 741.297 0 0 1 9 25435.7 752.288 1 -1 1 -9 26678.2 674.021 0 1 0 -8 121.629 262.342 0 -1 1 -8 155.758 141.760 2 0 1 8 62.9711 539.597 1 1 0 -8 205.554 233.424 2 0 -1 -8 136.183 227.244 0 -1 1 -8 244.718 217.283 0 0 1 7 1712.83 266.220 1 0 -1 -7 1322.37 234.486 0 0 -1 -7 1395.30 67.1803 2 1 0 -7 1882.13 238.905 0 1 0 -7 1654.52 198.219 2 -1 1 -7 1404.24 125.409 2 0 -1 -7 1352.28 67.3822 2 -1 1 -7 1485.20 211.851 0 0 1 6 1516.91 226.602 1 1 0 -6 1380.85 177.474 2 0 -1 -6 1408.36 208.953 0 0 -1 -6 1242.04 72.7848 2 -1 1 -6 1296.91 118.738 2 1 0 -6 1354.46 202.597 0 -1 1 -6 1131.92 168.881 0 -1 1 -5 41768.5 405.806 2 -1 1 -5 42167.4 571.532 0 0 1 5 44306.3 672.668 1 0 -1 -5 43061.2 303.154 2 1 0 -5 43219.5 661.930 0 0 -1 -5 43708.1 663.202 0 1 0 -5 43907.0 561.148 2 -1 1 -4 6802.96 232.410 0 -1 1 -4 6665.64 174.389 2 0 -1 -4 6544.90 274.387 0 1 0 -4 6696.75 272.816 0 0 1 4 6078.30 269.671 1 0 1 3 60231.3 622.146 1 1 0 -3 59896.1 629.091 0 -1 1 -3 62918.2 1996.65 0 0 -1 -3 61076.7 633.571 0 -1 1 -3 60323.7 430.346 2 0 -1 -2 6255.02 216.269 0 1 -1 2 6597.33 160.870 2 1 -1 2 6661.83 146.906 0 0 1 2 6703.61 206.020 1 1 0 -2 6926.05 227.883 0 -1 1 -2 6459.95 159.397 2 -1 1 -2 6965.53 154.369 0 1 -1 1 32500.3 282.992 2 1 0 -1 30102.4 262.294 3 0 -1 -1 30941.1 237.972 2 1 0 -1 4682.60 137.865 0 -1 1 -1 32162.9 280.302 2 0 -1 0 2568.23 105.649 2 1 0 0 1825.51 73.6327 1 -1 0 0 801.994 52.2774 1 1 -1 0 2523.26 101.090 3 0 -1 0 2795.38 107.954 1 0 1 -1 31021.2 320.936 2 0 -1 1 31651.4 323.911 2 1 0 1 31623.9 320.364 1 1 0 2 6413.26 227.560 1 1 -1 -2 6800.06 226.591 0 -1 0 -2 6020.27 169.699 0 -1 1 2 6262.50 164.455 1 0 1 -2 7160.73 212.078 0 -1 1 3 55989.6 521.334 1 0 1 -3 61464.1 550.106 2 -1 0 -3 61554.0 550.792 0 1 0 3 56794.1 634.609 1 1 -1 -3 56437.6 622.997 0 0 1 -3 62525.5 605.905 0 1 -1 -4 6870.15 284.869 0 -1 0 -4 6584.65 238.715 0 0 1 -4 7372.69 232.953 2 0 1 -4 7169.75 261.328 0 -1 1 4 6230.61 247.567 1 0 1 -5 41566.4 510.476 2 -1 0 -5 44859.7 615.769 0 0 1 -5 44362.0 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192.533 2 7 -5 -5 27.5645 169.330 0 5 2 5 130.377 352.976 1 5 2 4 9702.48 429.480 2 -2 7 -4 9932.14 475.177 2 7 -5 -4 9521.17 437.550 0 -2 7 -4 9870.25 442.839 3 5 2 4 9966.22 468.143 1 -7 5 4 9065.49 457.291 3 -7 5 3 143.391 157.915 3 5 2 3 49.3765 172.371 1 7 -5 -3 104.177 181.993 0 -2 7 -3 95.8918 186.309 2 -2 7 -3 330.449 218.973 3 5 2 3 31.0163 113.241 2 -5 -2 -2 111070. 801.400 3 -2 7 -2 109241. 1350.69 2 5 2 2 111326. 1292.04 1 -2 7 -2 115062. 1198.58 3 5 2 2 114407. 1338.58 2 7 -5 -2 111338. 1150.98 0 -7 5 2 112541. 1310.61 3 7 -5 -2 95639.3 455.449 1 7 -5 -2 97694.9 1839.24 1 -7 5 1 9.61630 162.880 3 -5 -2 -1 49.8103 70.1969 3 7 -5 -1 3.16799 21.0581 0 5 2 1 103.627 165.570 1 -2 7 -1 280.660 174.667 2 5 2 1-45.0615 462.893 2 -2 7 -1 30.9949 46.9796 3 7 -5 0 53475.1 662.046 0 -2 7 0 51047.2 907.132 2 5 2 0 53834.2 986.273 2 -2 7 0 53719.9 814.274 3 5 2 0 54151.0 856.137 1 -7 5 0 53152.5 895.822 3 7 -5 1-70.1270 75.3529 0 5 2 -1-14.0283 56.0653 1 -7 5 -1 174.882 170.643 3 -2 7 1 20.7098 106.416 2 -2 7 1-32.4193 111.136 3 5 2 -1-1.07690 2.06180 2 -2 7 2 107565. 1253.04 2 5 2 -2 111561. 1460.93 2 5 2 -2 114794. 1193.32 1 -7 5 -2 114507. 1363.77 3 -2 7 2 112059. 1320.54 1 -2 7 2 114000. 1232.37 3 -7 5 -3 121.654 329.662 3 -2 7 3 90.0353 446.247 3 -2 7 3 357.883 169.208 2 -2 7 3 105.464 182.664 1 5 2 -3 434.055 238.259 2 -2 7 4 9397.92 403.247 2 2 -7 -4 10807.7 558.333 0 5 2 -4 9777.07 553.785 2 -7 5 -4 9670.08 506.884 3 -2 7 4 10487.5 464.250 1 -7 5 -5 307.530 288.260 3 5 2 -5 211.838 349.215 2 -2 7 5-52.9626 229.075 1 2 -7 -5 233.168 257.635 0 -7 5 -6 95580.3 1527.61 3 5 2 -6 96084.8 1496.55 2 -2 7 6 96476.0 1348.57 1 2 -7 -6 99693.3 1578.13 0 2 -7 -7 132.767 656.108 0 -7 5 -7 337.272 265.334 3 -2 7 7 61.8242 8162.50 1 5 2 -7 151.908 498.121 2 -2 7 8 25362.2 780.479 1 5 2 -8 25023.3 853.492 2 -7 5 -8 25141.2 932.665 3 2 -7 -8 22551.1 875.943 0 -7 5 -9 136.988 696.868 3 2 -7 -9 100.787 418.853 0 -2 7 9 15.3690 130.742 1 5 2 -9-23.6689 91.3765 2 2 -7 -10 18711.6 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267.070 0 -4 -3 -6 242.287 273.495 0 7 -4 -6 243.698 168.957 0 4 3 6 298.115 238.386 1 -3 7 -6 187.485 320.744 2 -3 7 -6-41.4251 142.676 3 -3 7 -5 6439.60 425.127 3 7 -4 -5 6485.74 407.351 0 -3 7 -5 6403.46 400.847 2 4 3 5 6686.91 327.514 2 4 3 5 6795.05 428.639 1 -3 7 -4 91.9157 126.908 3 4 3 4 420.997 214.693 1 7 -4 -4 139.930 190.578 0 -3 7 -4 192.933 237.702 2 4 3 4 65.8554 142.365 2 -7 4 4 212.756 159.879 3 4 3 3 6312.90 380.253 1 -3 7 -3 5744.95 374.155 2 4 3 3 6198.88 366.702 2 -3 7 -3 7269.48 389.896 3 7 -4 -3 6344.52 344.855 0 -7 4 3 6452.31 368.613 3 -7 4 2 1462.40 239.349 3 -3 7 -2 1174.37 230.564 3 7 -4 -2 1597.13 216.175 0 4 3 2 1559.36 246.156 1 -3 7 -2 1417.64 251.337 2 4 3 2 1325.16 238.092 2 -7 4 1 1068.37 214.869 3 7 -4 -1 881.482 186.378 0 -3 7 -1 1023.01 240.097 3 -3 7 -1 1209.82 258.044 2 4 3 1 974.305 226.397 1 7 -4 -1 1066.15 119.336 1 4 3 1 1427.42 294.985 2 -7 4 0 1371.94 230.726 3 7 -4 0 549.762 153.252 0 4 3 0 613.406 212.631 1 -3 7 0 514.190 215.796 3 -3 7 0 574.226 192.878 2 7 -4 0 559.471 173.745 1 4 3 0 926.650 257.548 2 -3 7 1 1178.66 241.239 3 -7 4 -1 825.348 241.392 3 4 3 -1 792.814 201.985 1 4 3 -1 1377.27 303.867 2 7 -4 1 908.537 190.412 1 -3 7 1 1174.99 227.532 2 -3 7 2 1275.31 232.533 1 -3 7 2 1191.56 236.989 3 -7 4 -2 1686.78 263.944 3 -3 7 2 1531.35 242.468 2 3 -7 -2 1461.63 261.938 0 4 3 -2 1256.45 297.433 2 7 -4 2 1760.29 247.727 1 -7 4 -3 6420.57 408.223 3 -3 7 3 6382.88 342.941 1 7 -4 3 6798.85 366.141 1 4 3 -3 7224.28 474.694 2 3 -7 -3 6652.33 446.367 0 -3 7 3 6556.66 361.948 2 -3 7 3 6497.37 389.036 3 -7 4 -4 76.5862 23010.5 3 -3 7 4 82.2289 260.797 1 -3 7 4 105.672 181.025 3 4 3 -4 235.998 232.230 2 3 -7 -4 291.597 221.031 0 7 -4 5 7261.82 451.389 1 4 3 -5 6599.29 480.004 2 3 -7 -5 7273.78 490.984 0 -7 4 -5 8496.80 500.478 3 -3 7 5 6624.30 378.780 1 7 -4 6 136.778 188.171 1 -3 7 6 246.267 241.862 1 -7 4 -6 522.392 265.652 3 4 3 -6 520.750 348.661 2 3 -7 -6 635.272 268.682 0 -7 4 -7 344.064 397.531 3 -3 7 7 208.821 252.086 1 3 -7 -7 352.313 354.608 0 4 3 -7 716.316 307.615 2 7 -4 7 436.481 293.338 1 -7 4 -8 163.500 299.543 3 4 3 -8 374.655 323.339 2 3 -7 -8 103.907 457.672 0 -3 7 8 52.7485 329.829 1 7 -4 8 97.6722 99.6749 1 -3 7 9 6846.95 477.257 1 -7 4 -9 6923.89 602.788 3 7 -4 9 6735.20 568.911 1 4 3 -9 6727.72 529.843 2 3 -7 -9 6825.88 591.241 0 3 -7 -10 718.664 465.217 0 4 3 -10 240.442 1050.97 2 7 -4 10 726.886 495.873 1 -3 7 10 459.821 550.636 1 3 -7 -11 1480.95 583.826 0 4 3 -11 451.576 645.903 2 7 -4 11 788.668 729.307 1 3 -7 -12-127.568 284.442 0 3 -7 -13 587.810 702.495 0 7 -4 13 666.643 836.287 1 7 -3 -13 558.706 701.261 0 -4 7 -13 115.181 534.789 3 3 4 13 505.415 684.465 1 7 -3 -12-193.693 480.011 0 7 -3 -11 703.815 439.849 0 -4 7 -11 801.578 708.741 3 -3 -4 -11 994.485 604.517 0 3 4 11 463.085 566.816 1 -4 7 -10 334.571 675.340 3 -3 -4 -10 300.042 426.399 0 7 -3 -10 145.467 136.546 0 3 4 10 360.774 340.792 1 7 -3 -9 6061.09 500.532 0 -4 7 -9 6638.40 590.432 3 -4 7 -9 6454.76 429.856 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457.874 3 3 4 -5 7040.51 475.008 2 -4 7 5 7054.58 354.337 1 4 -7 -5 6731.89 486.580 0 7 -3 5 7258.72 434.211 1 -7 3 -6 532.568 363.386 3 -4 7 6 301.180 208.826 1 4 -7 -6 381.413 316.882 0 3 4 -6 99.1178 229.907 2 7 -3 6 202.230 214.027 1 7 -3 7 2648.50 304.714 1 -7 3 -7 2597.49 414.716 3 4 -7 -7 403.355 524.207 0 -4 7 7 46.1914 518.102 1 3 4 -7 541.056 260.239 2 -4 7 8-38.2363 68.2920 1 4 -7 -8-104.127 185.995 0 3 4 -8 195.138 889.410 2 7 -3 8 196.848 412.364 1 7 -3 9 6375.15 557.259 1 3 4 -9 6367.89 524.821 2 4 -7 -9 7490.77 600.716 0 3 4 -10 481.151 556.091 2 4 -7 -10 341.494 582.204 0 7 -3 10 585.837 394.509 1 3 4 -11 787.482 547.566 2 7 -3 11 1010.33 555.702 1 4 -7 -11 551.317 518.186 0 4 -7 -12-38.9631 407.691 0 4 -7 -13 776.747 946.635 0 7 -3 13 456.313 533.851 1 2 5 13-154.674 449.711 1 -5 7 -12 12452.5 901.810 3 2 5 12 12398.4 779.951 1 -2 -5 -12 12275.1 784.715 0 7 -2 -12 10841.4 753.974 0 -5 7 -11-41.4389 186.328 3 -2 -5 -11-107.339 323.808 0 7 -2 -11-126.593 279.167 0 2 5 11 133.469 977.936 1 -5 7 -10 20309.6 930.577 3 7 -2 -10 17182.8 788.896 0 -2 -5 -10 18438.2 826.363 0 2 5 10 18770.8 812.953 1 7 -2 -9 167.239 722.350 0 -5 7 -9-176.770 221.490 3 -2 -5 -9 67.5061 1922.45 0 -5 7 -9 29.7188 367.086 2 2 5 9 71.5177 647.482 1 2 5 8 22708.9 798.548 1 7 -2 -8 21720.5 784.839 0 -5 7 -8 23512.7 681.764 2 -2 -5 -8 24602.7 851.841 0 -5 7 -8 26200.8 934.409 3 -2 -5 -7 407.602 369.232 0 7 -2 -7-47.3308 137.055 0 -5 7 -7-146.008 282.330 3 2 5 7 354.717 264.617 1 -5 7 -7 79.9123 1080.22 2 2 5 6 94024.9 1429.30 1 -5 7 -6 92626.3 1244.33 2 7 -2 -6 88844.1 1357.10 0 -2 -5 -6 89519.8 1421.31 0 -5 7 -6 90349.8 1461.80 3 7 -2 -5 125.654 186.010 0 -5 7 -5 204.224 266.101 3 2 5 5 126.985 150.020 1 -5 7 -5 218.470 202.018 2 2 5 5 25.7077 56.8796 2 -5 7 -4 10663.0 528.107 3 -5 7 -4 9408.03 442.146 2 2 5 4 10437.7 406.808 2 2 5 4 9687.16 484.264 1 7 -2 -4 10354.2 457.750 0 7 -2 -3 257.675 199.053 0 2 5 3 84.0358 312.424 1 -5 7 -3 311.678 221.447 2 2 5 3 128.475 234.682 2 -5 7 -3 266.776 142.139 3 -7 2 3-127.509 198.653 3 2 5 2 108654. 1355.37 1 -5 7 -2 109382. 1302.99 2 2 5 2 107208. 1274.52 2 -7 2 2 111281. 1093.36 3 -5 7 -2 114383. 1381.70 3 7 -2 -2 111243. 719.330 1 5 -7 1-59.8825 264.211 0 2 5 1 119.049 131.628 2 -7 2 1-55.0900 111.034 3 2 5 1 91.1397 1916.86 1 -5 7 -1 29.5771 9641.86 2 7 -2 -1 65.9048 172.763 1 -5 7 -1 199.170 205.036 3 7 -2 0 52365.0 664.593 1 2 5 0 51108.6 945.263 2 2 5 0 52822.2 934.989 1 5 -7 0 54476.6 818.796 0 -5 7 0 53264.2 927.542 3 -7 2 0 52788.0 738.115 3 -5 7 1 43.2362 79.9854 3 5 -7 -1-85.5871 146.491 0 2 5 -1 35.4724 358.068 1 7 -2 1 284.059 162.710 1 -7 2 -1 222.009 146.818 3 2 5 -1 157.500 154.984 2 7 -2 2 112643. 1164.75 1 -7 2 -2 114273. 1169.89 3 2 5 -2 111228. 1443.42 2 -5 7 2 109451. 1350.08 3 2 5 -2 107385. 578.156 3 5 -7 -2 115244. 1321.19 0 -5 7 3 401.614 206.292 3 2 5 -3 88.5093 118.517 3 -7 2 -3 391.741 185.811 3 7 -2 3 615.775 186.474 1 2 5 -3 363.520 201.137 2 5 -7 -3 283.678 255.380 0 7 -2 4 9720.27 453.508 1 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7 5 2509.74 358.680 3 7 -7 -5 2668.13 351.482 0 0 7 -5 2178.99 264.927 3 0 7 -5 2539.13 358.088 2 0 7 -6 120.746 281.601 3 -7 0 -6 153.883 290.695 0 7 0 6 473.205 284.719 1 0 7 -6 464.799 271.789 2 7 -7 -6 389.652 313.181 0 0 7 -7 480.304 401.388 3 7 0 7 781.679 299.908 1 0 7 -7 344.208 425.485 2 7 -7 -7 947.234 322.285 0 0 7 -8-129.998 249.435 3 0 7 -8-77.9017 133.379 2 7 0 8 59.8172 4590.50 1 7 -7 -8 78.2780 356.654 0 0 7 -9 3056.91 456.729 3 7 0 9 3999.38 485.003 1 7 -7 -9 3116.39 456.990 0 0 7 -9 3291.46 464.249 2 7 -7 -10 93.0368 511.028 0 0 7 -10-150.282 446.038 2 7 0 10 83.7148 2232.82 1 7 -7 -11 653.210 599.160 0 7 0 11 579.206 472.552 1 7 -7 -12-51.1839 62.6103 0 7 0 12 236.749 532.228 1 8 -7 -12 15174.2 942.769 0 7 1 12 13342.2 870.523 1 8 -7 -11-186.927 286.944 0 -1 8 -10 17294.9 809.240 3 -1 8 -10 19394.0 817.298 2 8 -7 -10 18760.4 906.786 0 7 1 10 18905.3 883.607 1 8 -7 -9-3.75386 27.1634 0 -1 8 -9-26.2965 4562.03 2 -1 8 -8 26602.5 818.208 3 7 1 8 28051.4 941.113 1 -1 8 -8 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296.784 370.872 1 -5 -3 -8 362.176 510.477 0 -3 8 -8 139.434 712.911 2 8 -5 -7 8241.80 517.678 0 -3 8 -7 7898.59 525.578 3 5 3 7 7607.81 513.386 1 -3 8 -7 7829.02 495.357 2 -5 -3 -7 8185.67 502.813 0 -3 8 -6 1193.36 339.068 3 8 -5 -6 1221.74 314.013 0 5 3 6 1132.19 321.858 1 -3 8 -6 1486.42 308.496 2 -3 8 -5 32604.1 821.909 3 5 3 5 33242.5 866.088 1 -3 8 -5 34792.6 872.698 2 5 3 5 32923.9 707.124 2 8 -5 -5 32047.5 818.910 0 -8 5 5 32158.4 831.479 3 -3 8 -4 3053.46 335.867 3 5 3 4 3464.10 354.342 1 8 -5 -4 2592.56 297.100 0 -8 5 4 3466.72 350.773 3 -3 8 -4 3836.77 363.604 2 5 3 4 3051.63 326.536 2 5 3 3 44140.3 922.435 1 8 -5 -3 43300.0 829.724 0 -8 5 3 44117.9 890.989 3 -3 8 -3 41590.1 914.401 2 5 3 3 41941.3 861.162 2 -3 8 -3 45003.4 874.598 3 -3 8 -2 2636.25 295.842 3 8 -5 -2 3228.93 272.329 0 -8 5 2 3723.40 335.251 3 -3 8 -2 3311.95 341.148 2 5 3 2 3287.48 319.726 1 5 3 2 3349.31 367.709 2 -5 -3 -2 3129.57 152.538 3 -3 8 -1 29216.4 683.677 3 8 -5 -1 29787.0 409.968 1 -3 8 -1 28109.1 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313.963 1 -3 10 -7-221.961 202.787 3 10 -7 -7-96.5855 385.704 0 7 3 7 78.2115 813.292 1 -3 10 -7-12.7546 63.7489 2 -3 10 -6-75.3701 127.633 3 10 -7 -6 23.2595 150.477 0 7 3 6-198.798 296.888 1 -10 7 6-185.844 221.150 3 -10 7 5 1315.29 389.678 3 -3 10 -5 1831.80 362.162 3 10 -7 -5 1966.05 346.816 0 7 3 5 2002.98 369.441 1 -3 10 -5 1874.65 393.524 2 -10 7 4 16.1615 52.4119 3 -3 10 -4 12.7787 1358.57 3 10 -7 -4-65.6980 111.093 0 7 3 4 216.262 232.595 1 -3 10 -4 362.771 376.063 2 7 3 4 0.80695 2.15235 2 7 3 3 2928.19 377.358 1 -10 7 3 2036.65 366.574 3 10 -7 -3 2238.93 314.660 0 -3 10 -3 3094.46 416.057 2 7 3 3 2453.75 399.745 2 -3 10 -3 2411.92 333.067 3 -10 7 2-82.1734 766.441 3 -3 10 -2 104.238 454.917 3 10 -7 -2 182.711 356.095 0 7 3 2-16.7183 298.892 1 -3 10 -2 160.894 417.749 2 7 3 2 99.1065 602.652 2 -3 10 -1 145.094 197.180 3 -10 7 1 163.353 312.628 3 10 -7 -1 394.885 240.037 0 7 3 1 252.646 250.878 1 -3 10 -1 90.4293 5397.16 2 7 3 1 259.824 409.470 2 -3 10 0 132.070 365.816 3 -10 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1192.28 3 -9 12 3-214.248 469.112 3 3 9 -3-159.160 244.678 2 3 9 -4 14989.4 873.322 2 9 -12 -4 14270.8 789.553 0 -9 12 4 13331.5 789.880 3 12 -3 5-16.1198 91.4451 1 3 9 -5-210.132 318.607 2 12 -3 6 35372.3 1081.84 1 9 -12 -6 36654.5 1264.79 0 3 9 -6 37433.3 1293.99 2 12 -3 7-199.691 314.664 1 3 9 -7-202.113 598.001 2 9 -12 -7-57.2308 174.902 0 12 -3 8 16241.0 875.117 1 9 -12 -8 16469.0 999.355 0 3 9 -8 16265.4 973.101 2 3 9 -9-87.8780 427.253 2 9 -12 -9 10.1801 22.7289 0 -10 12 -8 1627.08 812.295 3 2 10 8 1066.20 665.337 1 -2 -10 -8 886.930 1049.62 0 -10 12 -7 6530.74 752.369 3 -2 -10 -7 6405.88 841.612 0 2 10 7 6314.04 667.449 1 -10 12 -6 14.1076 143.391 3 -2 -10 -6-10.3227 92.9158 0 2 10 6 71.9687 290.753 1 -10 12 -5 1068.09 603.783 3 2 10 5 1256.05 570.132 1 -10 12 -4 2297.48 527.044 3 2 10 4 2346.43 477.273 1 2 10 3 14114.5 767.106 2 2 10 3 12860.5 766.696 1 -10 12 -3 13511.8 812.894 3 -10 12 -2 1824.85 520.239 3 2 10 2 939.812 546.839 2 2 10 2 1317.02 444.799 1 -10 12 -1 3300.40 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