# generated using pymatgen data_Ca20CdGa11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95942623 _cell_length_b 7.95942623 _cell_length_c 14.92402449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20CdGa11 _chemical_formula_sum 'Ca20 Cd1 Ga11' _cell_volume 945.47375252 _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 0.68376181 0.16846242 0.10871259 1.0 Ca Ca1 1 0.17856166 0.67584575 0.60572861 1.0 Ca Ca2 1 0.31623819 0.83153758 0.10871259 1.0 Ca Ca3 1 0.82143834 0.32415425 0.60572861 1.0 Ca Ca4 1 0.83153758 0.68376181 0.10871259 1.0 Ca Ca5 1 0.32415425 0.17856166 0.60572861 1.0 Ca Ca6 1 0.16846242 0.31623819 0.10871259 1.0 Ca Ca7 1 0.67584575 0.82143834 0.60572861 1.0 Ca Ca8 1 0.83153758 0.31623819 0.89128741 1.0 Ca Ca9 1 0.32415425 0.82143834 0.39427139 1.0 Ca Ca10 1 0.16846242 0.68376181 0.89128741 1.0 Ca Ca11 1 0.67584575 0.17856166 0.39427139 1.0 Ca Ca12 1 0.68376181 0.83153758 0.89128741 1.0 Ca Ca13 1 0.17856166 0.32415425 0.39427139 1.0 Ca Ca14 1 0.31623819 0.16846242 0.89128741 1.0 Ca Ca15 1 0.82143834 0.67584575 0.39427139 1.0 Ca Ca16 1 0.50000000 0.50000000 0.75024739 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25839327 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74160673 1.0 Ca Ca19 1 0.50000000 0.50000000 0.24975261 1.0 Cd Cd20 1 0.50000000 0.50000000 0.00000000 1.0 Ga Ga21 1 0.60921724 0.11059487 0.74917731 1.0 Ga Ga22 1 0.11059487 0.60921724 0.25082269 1.0 Ga Ga23 1 0.88940513 0.39078276 0.25082269 1.0 Ga Ga24 1 0.39078276 0.88940513 0.74917731 1.0 Ga Ga25 1 0.88940513 0.60921724 0.74917731 1.0 Ga Ga26 1 0.39078276 0.11059487 0.25082269 1.0 Ga Ga27 1 0.11059487 0.39078276 0.74917731 1.0 Ga Ga28 1 0.60921724 0.88940513 0.25082269 1.0 Ga Ga29 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga30 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga31 1 0.00000000 0.00000000 0.50000000 1.0