# generated using pymatgen data_NdNi3BIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19042271 _cell_length_b 5.19042300 _cell_length_c 7.05016105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.49674833 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdNi3BIr _chemical_formula_sum 'Nd2 Ni6 B2 Ir2' _cell_volume 161.95166177 _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 Nd Nd0 1 0.00000000 0.00000000 0.50000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.33323708 0.66676292 0.00000000 1.0 Ni Ni3 1 0.66676292 0.33323708 0.00000000 1.0 Ni Ni4 1 0.50000000 0.00000000 0.29277905 1.0 Ni Ni5 1 0.00000000 0.50000000 0.29277905 1.0 Ni Ni6 1 0.50000000 0.00000000 0.70722095 1.0 Ni Ni7 1 0.00000000 0.50000000 0.70722095 1.0 B B8 1 0.67303450 0.32696550 0.50000000 1.0 B B9 1 0.32696550 0.67303450 0.50000000 1.0 Ir Ir10 1 0.50000000 0.50000000 0.28920600 1.0 Ir Ir11 1 0.50000000 0.50000000 0.71079400 1.0