# generated using pymatgen data_Ca20In3Ga8Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06484543 _cell_length_b 8.06484543 _cell_length_c 14.99545553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20In3Ga8Pb _chemical_formula_sum 'Ca20 In3 Ga8 Pb1' _cell_volume 975.33039745 _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 0.67973775 0.17894153 0.11072127 1.0 Ca Ca1 1 0.17890713 0.67823223 0.60982322 1.0 Ca Ca2 1 0.32026225 0.82105847 0.11072127 1.0 Ca Ca3 1 0.82109287 0.32176777 0.60982322 1.0 Ca Ca4 1 0.82105847 0.67973775 0.11072127 1.0 Ca Ca5 1 0.32176777 0.17890713 0.60982322 1.0 Ca Ca6 1 0.17894153 0.32026225 0.11072127 1.0 Ca Ca7 1 0.67823223 0.82109287 0.60982322 1.0 Ca Ca8 1 0.82105847 0.32026225 0.88927873 1.0 Ca Ca9 1 0.32176777 0.82109287 0.39017678 1.0 Ca Ca10 1 0.17894153 0.67973775 0.88927873 1.0 Ca Ca11 1 0.67823223 0.17890713 0.39017678 1.0 Ca Ca12 1 0.67973775 0.82105847 0.88927873 1.0 Ca Ca13 1 0.17890713 0.32176777 0.39017678 1.0 Ca Ca14 1 0.32026225 0.17894153 0.88927873 1.0 Ca Ca15 1 0.82109287 0.67823223 0.39017678 1.0 Ca Ca16 1 0.50000000 0.50000000 0.74947695 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25154435 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74845565 1.0 Ca Ca19 1 0.50000000 0.50000000 0.25052305 1.0 In In20 1 0.50000000 0.50000000 0.50000000 1.0 In In21 1 0.50000000 0.50000000 0.00000000 1.0 In In22 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga23 1 0.60850028 0.10835535 0.75079395 1.0 Ga Ga24 1 0.10835535 0.60850028 0.24920605 1.0 Ga Ga25 1 0.89164465 0.39149972 0.24920605 1.0 Ga Ga26 1 0.39149972 0.89164465 0.75079395 1.0 Ga Ga27 1 0.89164465 0.60850028 0.75079395 1.0 Ga Ga28 1 0.39149972 0.10835535 0.24920605 1.0 Ga Ga29 1 0.10835535 0.39149972 0.75079395 1.0 Ga Ga30 1 0.60850028 0.89164465 0.24920605 1.0 Pb Pb31 1 0.00000000 0.00000000 0.00000000 1.0