# generated using pymatgen data_Pr3GaIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18314046 _cell_length_b 5.70624156 _cell_length_c 14.16332166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.50243049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3GaIr3 _chemical_formula_sum 'Pr6 Ga2 Ir6' _cell_volume 314.54903937 _cell_formula_units_Z 2 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 Pr Pr0 1 0.21273684 0.42547269 0.39321244 1.0 Pr Pr1 1 0.78726316 0.57452731 0.60678756 1.0 Pr Pr2 1 0.21273684 0.42547269 0.10678756 1.0 Pr Pr3 1 0.78726316 0.57452731 0.89321244 1.0 Pr Pr4 1 0.49194019 0.98388137 0.25000000 1.0 Pr Pr5 1 0.50805981 0.01611863 0.75000000 1.0 Ga Ga6 1 0.50000000 0.00000000 0.50000000 1.0 Ga Ga7 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir8 1 0.92323743 0.84647687 0.41313586 1.0 Ir Ir9 1 0.07676257 0.15352313 0.58686414 1.0 Ir Ir10 1 0.92323743 0.84647687 0.08686414 1.0 Ir Ir11 1 0.07676257 0.15352313 0.91313586 1.0 Ir Ir12 1 0.77802862 0.55605523 0.25000000 1.0 Ir Ir13 1 0.22197138 0.44394477 0.75000000 1.0