# generated using pymatgen data_Pr2(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58565332 _cell_length_b 7.58565386 _cell_length_c 9.61491127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.71592546 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2(Ga3Ir)3 _chemical_formula_sum 'Pr4 Ga18 Ir6' _cell_volume 480.50509736 _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 0.99856486 0.66894118 0.25000000 1.0 Pr Pr1 1 0.00143514 0.33105882 0.75000000 1.0 Pr Pr2 1 0.66894118 0.99856486 0.25000000 1.0 Pr Pr3 1 0.33105882 0.00143514 0.75000000 1.0 Ga Ga4 1 0.13144560 0.13144560 0.25000000 1.0 Ga Ga5 1 0.86855440 0.86855440 0.75000000 1.0 Ga Ga6 1 0.00364574 0.33457430 0.07618339 1.0 Ga Ga7 1 0.99635426 0.66542570 0.92381661 1.0 Ga Ga8 1 0.99635426 0.66542570 0.57618339 1.0 Ga Ga9 1 0.33457430 0.00364574 0.42381661 1.0 Ga Ga10 1 0.00364574 0.33457430 0.42381661 1.0 Ga Ga11 1 0.66542570 0.99635426 0.57618339 1.0 Ga Ga12 1 0.66542570 0.99635426 0.92381661 1.0 Ga Ga13 1 0.33457430 0.00364574 0.07618339 1.0 Ga Ga14 1 0.33539444 0.33539444 0.55973199 1.0 Ga Ga15 1 0.66460556 0.66460556 0.44026801 1.0 Ga Ga16 1 0.66460556 0.66460556 0.05973199 1.0 Ga Ga17 1 0.33539444 0.33539444 0.94026801 1.0 Ga Ga18 1 0.33854111 0.54265810 0.25000000 1.0 Ga Ga19 1 0.66145889 0.45734190 0.75000000 1.0 Ga Ga20 1 0.54265810 0.33854111 0.25000000 1.0 Ga Ga21 1 0.45734190 0.66145889 0.75000000 1.0 Ir Ir22 1 0.67050102 0.32949898 0.00000000 1.0 Ir Ir23 1 0.32949898 0.67050102 0.00000000 1.0 Ir Ir24 1 0.32949898 0.67050102 0.50000000 1.0 Ir Ir25 1 0.67050102 0.32949898 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0