# generated using pymatgen data_Ca20Ga11Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97037504 _cell_length_b 7.97037504 _cell_length_c 14.86510057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20Ga11Bi _chemical_formula_sum 'Ca20 Ga11 Bi1' _cell_volume 944.33343516 _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 0.67097513 0.18476157 0.11085156 1.0 Ca Ca1 1 0.17585251 0.67721182 0.60568675 1.0 Ca Ca2 1 0.32902487 0.81523843 0.11085156 1.0 Ca Ca3 1 0.82414749 0.32278818 0.60568675 1.0 Ca Ca4 1 0.81523843 0.67097513 0.11085156 1.0 Ca Ca5 1 0.32278818 0.17585251 0.60568675 1.0 Ca Ca6 1 0.18476157 0.32902487 0.11085156 1.0 Ca Ca7 1 0.67721182 0.82414749 0.60568675 1.0 Ca Ca8 1 0.81523843 0.32902487 0.88914844 1.0 Ca Ca9 1 0.32278818 0.82414749 0.39431325 1.0 Ca Ca10 1 0.18476157 0.67097513 0.88914844 1.0 Ca Ca11 1 0.67721182 0.17585251 0.39431325 1.0 Ca Ca12 1 0.67097513 0.81523843 0.88914844 1.0 Ca Ca13 1 0.17585251 0.32278818 0.39431325 1.0 Ca Ca14 1 0.32902487 0.18476157 0.88914844 1.0 Ca Ca15 1 0.82414749 0.67721182 0.39431325 1.0 Ca Ca16 1 0.50000000 0.50000000 0.73998931 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25277564 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74722436 1.0 Ca Ca19 1 0.50000000 0.50000000 0.26001069 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 0.61067368 0.10901433 0.74927139 1.0 Ga Ga24 1 0.10901433 0.61067368 0.25072861 1.0 Ga Ga25 1 0.89098567 0.38932632 0.25072861 1.0 Ga Ga26 1 0.38932632 0.89098567 0.74927139 1.0 Ga Ga27 1 0.89098567 0.61067368 0.74927139 1.0 Ga Ga28 1 0.38932632 0.10901433 0.25072861 1.0 Ga Ga29 1 0.10901433 0.38932632 0.74927139 1.0 Ga Ga30 1 0.61067368 0.89098567 0.25072861 1.0 Bi Bi31 1 0.00000000 0.00000000 0.00000000 1.0