# generated using pymatgen data_Ca9Yb3(HoSn2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83340351 _cell_length_b 8.41963509 _cell_length_c 15.95792895 _cell_angle_alpha 90.02523532 _cell_angle_beta 90.01405972 _cell_angle_gamma 89.98258905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9Yb3(HoSn2)8 _chemical_formula_sum 'Ca9 Yb3 Ho8 Sn16' _cell_volume 1052.49543183 _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 0.50781637 0.68799705 0.59329677 1.0 Ca Ca1 1 0.00812277 0.81163673 0.90712277 1.0 Ca Ca2 1 0.49209573 0.31179030 0.09254897 1.0 Ca Ca3 1 0.99161183 0.18815105 0.40713510 1.0 Ca Ca4 1 0.49144554 0.31203840 0.40694189 1.0 Ca Ca5 1 0.83919346 0.51136785 0.75027032 1.0 Ca Ca6 1 0.33928224 0.98842368 0.75009598 1.0 Ca Ca7 1 0.16136040 0.48879476 0.24991707 1.0 Ca Ca8 1 0.66080028 0.01164699 0.24972087 1.0 Yb Yb9 1 0.99121050 0.18946906 0.09349847 1.0 Yb Yb10 1 0.50880043 0.68926767 0.90615089 1.0 Yb Yb11 1 0.00818817 0.81095674 0.59418044 1.0 Ho Ho12 1 0.67671111 0.16712566 0.62219911 1.0 Ho Ho13 1 0.17660464 0.33243741 0.87805095 1.0 Ho Ho14 1 0.32348406 0.83247766 0.12159583 1.0 Ho Ho15 1 0.82381232 0.66761571 0.37771459 1.0 Ho Ho16 1 0.32292382 0.83363811 0.37749463 1.0 Ho Ho17 1 0.82332089 0.66671317 0.12210347 1.0 Ho Ho18 1 0.67704117 0.16638330 0.87756108 1.0 Ho Ho19 1 0.17686343 0.33335909 0.62256476 1.0 Sn Sn20 1 0.66672269 0.96167131 0.46030195 1.0 Sn Sn21 1 0.16648361 0.53622988 0.04031576 1.0 Sn Sn22 1 0.33374371 0.03618663 0.95935706 1.0 Sn Sn23 1 0.83375027 0.46404502 0.54105174 1.0 Sn Sn24 1 0.33089246 0.03643841 0.54080034 1.0 Sn Sn25 1 0.83132148 0.46195690 0.95982100 1.0 Sn Sn26 1 0.66880590 0.96203170 0.03986865 1.0 Sn Sn27 1 0.16657374 0.54006711 0.46059133 1.0 Sn Sn28 1 0.47382343 0.37229724 0.75068435 1.0 Sn Sn29 1 0.97392484 0.12746452 0.74946153 1.0 Sn Sn30 1 0.52674788 0.62850321 0.25000947 1.0 Sn Sn31 1 0.02606307 0.87197807 0.24922533 1.0 Sn Sn32 1 0.72466351 0.87538380 0.74996005 1.0 Sn Sn33 1 0.22447181 0.62441632 0.75028500 1.0 Sn Sn34 1 0.27450966 0.12400190 0.24888798 1.0 Sn Sn35 1 0.77681380 0.37603860 0.24921451 1.0