# generated using pymatgen data_Ca4Pr13Sm3Sn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10660913 _cell_length_b 8.53200558 _cell_length_c 16.13045046 _cell_angle_alpha 90.10951930 _cell_angle_beta 90.01176227 _cell_angle_gamma 89.98653291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Pr13Sm3Sn16 _chemical_formula_sum 'Ca4 Pr13 Sm3 Sn16' _cell_volume 1115.67074566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.16591892 0.49373877 0.75028669 1.0 Ca Ca1 1 0.66534209 0.00719090 0.74918497 1.0 Ca Ca2 1 0.83453842 0.50690412 0.25098652 1.0 Ca Ca3 1 0.33498392 0.99312799 0.24986393 1.0 Pr Pr4 1 0.16478698 0.32679202 0.12329644 1.0 Pr Pr5 1 0.66656469 0.17255853 0.12362195 1.0 Pr Pr6 1 0.16636225 0.32643026 0.37738975 1.0 Pr Pr7 1 0.33390803 0.82732303 0.62318398 1.0 Pr Pr8 1 0.83481057 0.67348622 0.87638184 1.0 Pr Pr9 1 0.49052976 0.31904708 0.90364906 1.0 Pr Pr10 1 0.99027863 0.18233995 0.59614119 1.0 Pr Pr11 1 0.51034954 0.68280287 0.40501551 1.0 Pr Pr12 1 0.01012346 0.81560583 0.09554908 1.0 Pr Pr13 1 0.50859904 0.68140184 0.09482425 1.0 Pr Pr14 1 0.00879232 0.81764461 0.40584319 1.0 Pr Pr15 1 0.49128599 0.31727853 0.59516704 1.0 Pr Pr16 1 0.99022453 0.18370924 0.90417921 1.0 Sm Sm17 1 0.33383436 0.82727926 0.87443527 1.0 Sm Sm18 1 0.83403022 0.67334228 0.62439006 1.0 Sm Sm19 1 0.66537825 0.17267018 0.37632287 1.0 Sn Sn20 1 0.32410883 0.03402751 0.03612894 1.0 Sn Sn21 1 0.82105556 0.46254709 0.46358179 1.0 Sn Sn22 1 0.68033137 0.96276384 0.53680779 1.0 Sn Sn23 1 0.18052659 0.53913161 0.96144096 1.0 Sn Sn24 1 0.66912250 0.96495276 0.96006053 1.0 Sn Sn25 1 0.17014019 0.53518378 0.53990970 1.0 Sn Sn26 1 0.32930215 0.03533855 0.46078224 1.0 Sn Sn27 1 0.82324422 0.46433626 0.03813185 1.0 Sn Sn28 1 0.53379223 0.60798550 0.74873873 1.0 Sn Sn29 1 0.03295718 0.89371273 0.75070625 1.0 Sn Sn30 1 0.46785308 0.39326063 0.25085516 1.0 Sn Sn31 1 0.96598271 0.10470162 0.25192815 1.0 Sn Sn32 1 0.29099731 0.13730678 0.75021813 1.0 Sn Sn33 1 0.79082631 0.36383557 0.74930770 1.0 Sn Sn34 1 0.70898953 0.86271477 0.25091092 1.0 Sn Sn35 1 0.21012826 0.63752747 0.25077836 1.0