# generated using pymatgen data_UNbBRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66156109 _cell_length_b 5.66156053 _cell_length_c 5.66156159 _cell_angle_alpha 59.99999951 _cell_angle_beta 60.00000276 _cell_angle_gamma 59.99999859 _symmetry_Int_Tables_number 1 _chemical_formula_structural UNbBRu6 _chemical_formula_sum 'U1 Nb1 B1 Ru6' _cell_volume 128.31977630 _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 U U0 1 0.25000000 0.25000000 0.25000000 1.0 Nb Nb1 1 0.75000000 0.75000000 0.75000000 1.0 B B2 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru3 1 0.75738978 0.24261022 0.24261022 1.0 Ru Ru4 1 0.24261022 0.75738978 0.24261022 1.0 Ru Ru5 1 0.75738978 0.75738978 0.24261022 1.0 Ru Ru6 1 0.24261022 0.24261022 0.75738978 1.0 Ru Ru7 1 0.75738978 0.24261022 0.75738978 1.0 Ru Ru8 1 0.24261022 0.75738978 0.75738978 1.0