# generated using pymatgen data_Ca17Yb3(GeBi2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12305655 _cell_length_b 9.49106860 _cell_length_c 13.02575592 _cell_angle_alpha 89.97420812 _cell_angle_beta 89.96423268 _cell_angle_gamma 90.01925258 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca17Yb3(GeBi2)4 _chemical_formula_sum 'Ca17 Yb3 Ge4 Bi8' _cell_volume 1004.23966773 _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 0.83107964 0.52530415 0.08035000 1.0 Ca Ca1 1 0.82487423 0.24994708 0.78657028 1.0 Ca Ca2 1 0.05541207 0.75228479 0.49935796 1.0 Ca Ca3 1 0.34793937 0.24888556 0.69203498 1.0 Ca Ca4 1 0.16676499 0.02547950 0.92023896 1.0 Ca Ca5 1 0.55630936 0.24798732 0.00068006 1.0 Ca Ca6 1 0.84773689 0.75078463 0.80740078 1.0 Ca Ca7 1 0.32555763 0.75043208 0.71281033 1.0 Ca Ca8 1 0.33145949 0.47533353 0.42055460 1.0 Ca Ca9 1 0.67537853 0.24928670 0.28629651 1.0 Ca Ca10 1 0.44535298 0.75132136 0.99951532 1.0 Ca Ca11 1 0.66893376 0.52476231 0.57863838 1.0 Ca Ca12 1 0.94468563 0.24779788 0.50040066 1.0 Ca Ca13 1 0.15232079 0.24831147 0.19308550 1.0 Ca Ca14 1 0.17512872 0.75068925 0.21367189 1.0 Ca Ca15 1 0.16788503 0.47498019 0.92130087 1.0 Ca Ca16 1 0.65266845 0.75174824 0.30718867 1.0 Yb Yb17 1 0.83439664 0.97529362 0.07969155 1.0 Yb Yb18 1 0.66497790 0.97571834 0.57809897 1.0 Yb Yb19 1 0.33508400 0.02435237 0.42131521 1.0 Ge Ge20 1 0.44867126 0.75321535 0.49358616 1.0 Ge Ge21 1 0.55144806 0.24684181 0.50559790 1.0 Ge Ge22 1 0.04989381 0.75160807 0.99500292 1.0 Ge Ge23 1 0.94575998 0.24816449 0.00732704 1.0 Bi Bi24 1 0.04709264 0.00511624 0.66901599 1.0 Bi Bi25 1 0.95277786 0.99508615 0.33019531 1.0 Bi Bi26 1 0.04941973 0.49477623 0.66901125 1.0 Bi Bi27 1 0.54864337 0.99489859 0.82950164 1.0 Bi Bi28 1 0.45305195 0.00467253 0.17033837 1.0 Bi Bi29 1 0.45035005 0.49445297 0.16927476 1.0 Bi Bi30 1 0.54848482 0.50505535 0.83055546 1.0 Bi Bi31 1 0.95046039 0.50541086 0.33139074 1.0