# generated using pymatgen data_Ca20Ga11Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95922466 _cell_length_b 7.95922466 _cell_length_c 14.80696094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20Ga11Sb _chemical_formula_sum 'Ca20 Ga11 Sb1' _cell_volume 938.00997633 _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 0.67332721 0.18164092 0.10915794 1.0 Ca Ca1 1 0.17660655 0.67666604 0.60630144 1.0 Ca Ca2 1 0.32667279 0.81835908 0.10915794 1.0 Ca Ca3 1 0.82339345 0.32333396 0.60630144 1.0 Ca Ca4 1 0.81835908 0.67332721 0.10915794 1.0 Ca Ca5 1 0.32333396 0.17660655 0.60630144 1.0 Ca Ca6 1 0.18164092 0.32667279 0.10915794 1.0 Ca Ca7 1 0.67666604 0.82339345 0.60630144 1.0 Ca Ca8 1 0.81835908 0.32667279 0.89084206 1.0 Ca Ca9 1 0.32333396 0.82339345 0.39369856 1.0 Ca Ca10 1 0.18164092 0.67332721 0.89084206 1.0 Ca Ca11 1 0.67666604 0.17660655 0.39369856 1.0 Ca Ca12 1 0.67332721 0.81835908 0.89084206 1.0 Ca Ca13 1 0.17660655 0.32333396 0.39369856 1.0 Ca Ca14 1 0.32667279 0.18164092 0.89084206 1.0 Ca Ca15 1 0.82339345 0.67666604 0.39369856 1.0 Ca Ca16 1 0.50000000 0.50000000 0.74406616 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25169670 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74830330 1.0 Ca Ca19 1 0.50000000 0.50000000 0.25593384 1.0 Ga Ga20 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga21 1 0.50000000 0.50000000 0.00000000 1.0 Ga Ga22 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga23 1 0.61054283 0.10921628 0.75057946 1.0 Ga Ga24 1 0.10921628 0.61054283 0.24942054 1.0 Ga Ga25 1 0.89078372 0.38945717 0.24942054 1.0 Ga Ga26 1 0.38945717 0.89078372 0.75057946 1.0 Ga Ga27 1 0.89078372 0.61054283 0.75057946 1.0 Ga Ga28 1 0.38945717 0.10921628 0.24942054 1.0 Ga Ga29 1 0.10921628 0.38945717 0.75057946 1.0 Ga Ga30 1 0.61054283 0.89078372 0.24942054 1.0 Sb Sb31 1 0.00000000 0.00000000 0.00000000 1.0