# generated using pymatgen data_Ca2Ga3AsIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15154527 _cell_length_b 4.15154527 _cell_length_c 10.45405382 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ga3AsIr4 _chemical_formula_sum 'Ca2 Ga3 As1 Ir4' _cell_volume 180.17904772 _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 0.00000000 0.50000000 0.24533180 1.0 Ca Ca1 1 0.50000000 0.00000000 0.75420320 1.0 Ga Ga2 1 0.00000000 0.00000000 0.49823365 1.0 Ga Ga3 1 0.50000000 0.50000000 0.49823365 1.0 Ga Ga4 1 0.00000000 0.50000000 0.87081340 1.0 As As5 1 0.50000000 0.00000000 0.12746858 1.0 Ir Ir6 1 0.00000000 0.00000000 0.00615330 1.0 Ir Ir7 1 0.50000000 0.50000000 0.00615330 1.0 Ir Ir8 1 0.50000000 0.00000000 0.36028680 1.0 Ir Ir9 1 0.00000000 0.50000000 0.63312331 1.0