# generated using pymatgen data_Nb3Ir2Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51063154 _cell_length_b 5.51063063 _cell_length_c 13.41569907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.01899728 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ir2Rh7 _chemical_formula_sum 'Nb6 Ir4 Rh14' _cell_volume 352.74709580 _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 0.99967512 0.00032488 0.25000000 1.0 Nb Nb1 1 0.00116547 0.99883453 0.75000000 1.0 Nb Nb2 1 0.33323398 0.66676602 0.41126189 1.0 Nb Nb3 1 0.66635017 0.33364983 0.58956837 1.0 Nb Nb4 1 0.66635017 0.33364983 0.91043163 1.0 Nb Nb5 1 0.33323398 0.66676602 0.08873811 1.0 Ir Ir6 1 0.50434340 0.49565660 0.25000000 1.0 Ir Ir7 1 0.50416362 0.00920987 0.25000000 1.0 Ir Ir8 1 0.99079013 0.49583638 0.25000000 1.0 Ir Ir9 1 0.49507195 0.50492805 0.75000000 1.0 Rh Rh10 1 0.49577260 0.99154229 0.75000000 1.0 Rh Rh11 1 0.00845771 0.50422740 0.75000000 1.0 Rh Rh12 1 0.16583224 0.33058861 0.91714136 1.0 Rh Rh13 1 0.66941139 0.83416776 0.91714136 1.0 Rh Rh14 1 0.16574426 0.83425574 0.91767353 1.0 Rh Rh15 1 0.83437255 0.66925729 0.08202885 1.0 Rh Rh16 1 0.33074271 0.16562745 0.08202885 1.0 Rh Rh17 1 0.83459171 0.16540829 0.08217211 1.0 Rh Rh18 1 0.83437255 0.66925729 0.41797115 1.0 Rh Rh19 1 0.33074271 0.16562745 0.41797115 1.0 Rh Rh20 1 0.83459171 0.16540829 0.41782789 1.0 Rh Rh21 1 0.16583224 0.33058861 0.58285864 1.0 Rh Rh22 1 0.66941139 0.83416776 0.58285864 1.0 Rh Rh23 1 0.16574426 0.83425574 0.58232647 1.0