# generated using pymatgen data_Nb3IrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82703452 _cell_length_b 4.96556151 _cell_length_c 13.89316726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3IrPt2 _chemical_formula_sum 'Nb6 Ir2 Pt4' _cell_volume 195.02969515 _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 Nb Nb0 1 0.00000000 0.00941781 0.25000000 1.0 Nb Nb1 1 0.00000000 0.99058219 0.75000000 1.0 Nb Nb2 1 0.00000000 0.34453491 0.58595981 1.0 Nb Nb3 1 0.00000000 0.65546509 0.41404019 1.0 Nb Nb4 1 0.00000000 0.34453491 0.91404019 1.0 Nb Nb5 1 0.00000000 0.65546509 0.08595981 1.0 Ir Ir6 1 0.50000000 0.50726682 0.25000000 1.0 Ir Ir7 1 0.50000000 0.49273318 0.75000000 1.0 Pt Pt8 1 0.50000000 0.84160215 0.58270662 1.0 Pt Pt9 1 0.50000000 0.15839785 0.41729338 1.0 Pt Pt10 1 0.50000000 0.84160215 0.91729338 1.0 Pt Pt11 1 0.50000000 0.15839785 0.08270662 1.0