# generated using pymatgen data_Pr3Nd(Ga3Ir)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58100310 _cell_length_b 7.57922635 _cell_length_c 9.60472095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.73468866 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Nd(Ga3Ir)6 _chemical_formula_sum 'Pr3 Nd1 Ga18 Ir6' _cell_volume 479.20551129 _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 Pr Pr0 1 0.00144780 0.33115701 0.75000000 1.0 Pr Pr1 1 0.66881634 0.99872845 0.25000000 1.0 Pr Pr2 1 0.33123651 0.00146407 0.75000000 1.0 Nd Nd3 1 0.99881037 0.66894182 0.25000000 1.0 Ga Ga4 1 0.13125936 0.13066934 0.25000000 1.0 Ga Ga5 1 0.86877765 0.86845243 0.75000000 1.0 Ga Ga6 1 0.00357909 0.33504226 0.07675665 1.0 Ga Ga7 1 0.99625473 0.66550674 0.92471532 1.0 Ga Ga8 1 0.99625473 0.66550674 0.57528468 1.0 Ga Ga9 1 0.33397242 0.00312919 0.42330141 1.0 Ga Ga10 1 0.00357909 0.33504226 0.42324335 1.0 Ga Ga11 1 0.66547404 0.99610489 0.57597976 1.0 Ga Ga12 1 0.66547404 0.99610489 0.92402024 1.0 Ga Ga13 1 0.33397242 0.00312919 0.07669859 1.0 Ga Ga14 1 0.33562950 0.33565295 0.55947746 1.0 Ga Ga15 1 0.66497531 0.66455767 0.43865191 1.0 Ga Ga16 1 0.66497531 0.66455767 0.06134809 1.0 Ga Ga17 1 0.33562950 0.33565295 0.94052254 1.0 Ga Ga18 1 0.33768789 0.54256886 0.25000000 1.0 Ga Ga19 1 0.66170924 0.45762665 0.75000000 1.0 Ga Ga20 1 0.54338757 0.33913818 0.25000000 1.0 Ga Ga21 1 0.45750064 0.66141654 0.75000000 1.0 Ir Ir22 1 0.67042262 0.32946664 0.00020668 1.0 Ir Ir23 1 0.32943796 0.67047803 0.00022458 1.0 Ir Ir24 1 0.32943796 0.67047803 0.49977542 1.0 Ir Ir25 1 0.67042262 0.32946664 0.49979332 1.0 Ir Ir26 1 0.99993663 0.99998195 0.00029821 1.0 Ir Ir27 1 0.99993663 0.99998195 0.49970179 1.0