# generated using pymatgen data_Ca9Cd4Bi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75825618 _cell_length_b 12.84970959 _cell_length_c 22.67347178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9Cd4Bi9 _chemical_formula_sum 'Ca18 Cd8 Bi18' _cell_volume 1386.30617454 _cell_formula_units_Z 2 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 -0.00000000 0.36787371 0.63589714 1.0 Ca Ca1 1 0.00000000 0.56703460 0.91094057 1.0 Ca Ca2 1 -0.00000000 0.63212602 0.36413484 1.0 Ca Ca3 1 -0.00000000 0.43295314 0.08902884 1.0 Ca Ca4 1 0.00000000 0.13212602 0.13586516 1.0 Ca Ca5 1 -0.00000000 0.86787371 0.86410286 1.0 Ca Ca6 1 0.50000000 0.49999913 0.50001086 1.0 Ca Ca7 1 0.50000000 -0.00000087 -0.00001086 1.0 Ca Ca8 1 0.50000000 0.70873396 0.10065045 1.0 Ca Ca9 1 0.50000000 0.29126483 0.89932277 1.0 Ca Ca10 1 0.50000000 0.20873396 0.39934955 1.0 Ca Ca11 1 0.50000000 0.79126483 0.60067723 1.0 Ca Ca12 1 0.00000000 0.87517090 0.23393346 1.0 Ca Ca13 1 0.00000000 0.12481904 0.76606321 1.0 Ca Ca14 1 0.00000000 0.37517090 0.26606654 1.0 Ca Ca15 1 0.00000000 0.62481904 0.73393679 1.0 Ca Ca16 1 -0.00000000 0.93295314 0.41097116 1.0 Ca Ca17 1 -0.00000000 0.06703460 0.58905943 1.0 Cd Cd18 1 0.50000000 0.73082261 0.95334616 1.0 Cd Cd19 1 0.50000000 0.26923281 0.04669531 1.0 Cd Cd20 1 0.50000000 0.23082261 0.54665384 1.0 Cd Cd21 1 0.50000000 0.76923281 0.45330469 1.0 Cd Cd22 1 0.50000000 0.61358650 0.26018775 1.0 Cd Cd23 1 0.50000000 0.11358650 0.23981225 1.0 Cd Cd24 1 0.50000000 0.38641736 0.73980948 1.0 Cd Cd25 1 0.50000000 0.88641736 0.76019052 1.0 Bi Bi26 1 0.50000000 0.81561112 0.32831565 1.0 Bi Bi27 1 0.50000000 0.18436379 0.67173949 1.0 Bi Bi28 1 0.50000000 0.31561112 0.17168435 1.0 Bi Bi29 1 0.50000000 0.68436379 0.82826051 1.0 Bi Bi30 1 0.50000000 0.95494858 0.14417248 1.0 Bi Bi31 1 0.50000000 0.04506599 0.85581369 1.0 Bi Bi32 1 0.50000000 0.45494858 0.35582752 1.0 Bi Bi33 1 0.50000000 0.54506599 0.64418631 1.0 Bi Bi34 1 0.00000000 0.61819479 0.18668704 1.0 Bi Bi35 1 0.00000000 0.38179818 0.81328975 1.0 Bi Bi36 1 0.00000000 0.11819479 0.31331296 1.0 Bi Bi37 1 0.00000000 0.88179818 0.68671025 1.0 Bi Bi38 1 0.00000000 0.81760769 0.01142884 1.0 Bi Bi39 1 0.00000000 0.18239317 0.98851242 1.0 Bi Bi40 1 0.00000000 0.31760769 0.48857116 1.0 Bi Bi41 1 0.00000000 0.68239317 0.51148758 1.0 Bi Bi42 1 0.50000000 -0.00001794 0.50005125 1.0 Bi Bi43 1 0.50000000 0.49998206 -0.00005125 1.0