# generated using pymatgen data_Ca20Zn9Cd2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89723843 _cell_length_b 7.89723843 _cell_length_c 15.54676054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20Zn9Cd2Bi _chemical_formula_sum 'Ca20 Zn9 Cd2 Bi1' _cell_volume 969.59509528 _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 0.67433015 0.16666906 0.10400621 1.0 Ca Ca1 1 0.17327412 0.66946937 0.60596722 1.0 Ca Ca2 1 0.32566985 0.83333094 0.10400621 1.0 Ca Ca3 1 0.82672588 0.33053063 0.60596722 1.0 Ca Ca4 1 0.83333094 0.67433015 0.10400621 1.0 Ca Ca5 1 0.33053063 0.17327412 0.60596722 1.0 Ca Ca6 1 0.16666906 0.32566985 0.10400621 1.0 Ca Ca7 1 0.66946937 0.82672588 0.60596722 1.0 Ca Ca8 1 0.83333094 0.32566985 0.89599379 1.0 Ca Ca9 1 0.33053063 0.82672588 0.39403278 1.0 Ca Ca10 1 0.16666906 0.67433015 0.89599379 1.0 Ca Ca11 1 0.66946937 0.17327412 0.39403278 1.0 Ca Ca12 1 0.67433015 0.83333094 0.89599379 1.0 Ca Ca13 1 0.17327412 0.33053063 0.39403278 1.0 Ca Ca14 1 0.32566985 0.16666906 0.89599379 1.0 Ca Ca15 1 0.82672588 0.66946937 0.39403278 1.0 Ca Ca16 1 0.50000000 0.50000000 0.75405739 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25022198 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74977802 1.0 Ca Ca19 1 0.50000000 0.50000000 0.24594261 1.0 Zn Zn20 1 0.61423584 0.11324022 0.75054173 1.0 Zn Zn21 1 0.11324022 0.61423584 0.24945827 1.0 Zn Zn22 1 0.88675978 0.38576416 0.24945827 1.0 Zn Zn23 1 0.38576416 0.88675978 0.75054173 1.0 Zn Zn24 1 0.88675978 0.61423584 0.75054173 1.0 Zn Zn25 1 0.38576416 0.11324022 0.24945827 1.0 Zn Zn26 1 0.11324022 0.38576416 0.75054173 1.0 Zn Zn27 1 0.61423584 0.88675978 0.24945827 1.0 Zn Zn28 1 0.00000000 0.00000000 0.00000000 1.0 Cd Cd29 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd30 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi31 1 0.00000000 0.00000000 0.50000000 1.0