# generated using pymatgen data_Nd2Pa(InIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83868640 _cell_length_b 7.58752040 _cell_length_c 3.92490325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.10119531 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Pa(InIr)3 _chemical_formula_sum 'Nd2 Pa1 In3 Ir3' _cell_volume 199.88301953 _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 Nd Nd0 1 0.40710926 0.40723009 0.50000000 1.0 Nd Nd1 1 0.99987917 0.59276991 0.50000000 1.0 Pa Pa2 1 0.58295204 0.00000000 0.50000000 1.0 In In3 1 0.24082780 0.00000000 0.00000000 1.0 In In4 1 0.74565396 0.73943268 0.00000000 1.0 In In5 1 0.00622128 0.26056732 0.00000000 1.0 Ir Ir6 1 0.98540506 0.00000000 0.50000000 1.0 Ir Ir7 1 0.37044182 0.70893222 0.00000000 1.0 Ir Ir8 1 0.66151060 0.29106778 0.00000000 1.0