# generated using pymatgen data_HfNb3(AsRu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91394957 _cell_length_b 6.47853223 _cell_length_c 7.37984688 _cell_angle_alpha 90.21621109 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb3(AsRu)4 _chemical_formula_sum 'Hf1 Nb3 As4 Ru4' _cell_volume 187.12685009 _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 Hf Hf0 1 0.25000000 0.02385780 0.81664408 1.0 Nb Nb1 1 0.25000000 0.52433905 0.67629438 1.0 Nb Nb2 1 0.75000000 0.97632656 0.18134992 1.0 Nb Nb3 1 0.75000000 0.47650776 0.32265523 1.0 As As4 1 0.25000000 0.76538696 0.37672839 1.0 As As5 1 0.25000000 0.26669966 0.12462138 1.0 As As6 1 0.75000000 0.23810770 0.62042761 1.0 As As7 1 0.75000000 0.73223172 0.87989437 1.0 Ru Ru8 1 0.25000000 0.14388480 0.43784449 1.0 Ru Ru9 1 0.25000000 0.64455611 0.05949537 1.0 Ru Ru10 1 0.75000000 0.85532543 0.56277505 1.0 Ru Ru11 1 0.75000000 0.35277645 0.94127172 1.0