# generated using pymatgen data_NbAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36480962 _cell_length_b 5.36480962 _cell_length_c 5.36480962 _cell_angle_alpha 136.46214682 _cell_angle_beta 136.46214682 _cell_angle_gamma 63.26665254 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAs3 _chemical_formula_sum 'Nb1 As3' _cell_volume 72.32654333 _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 Nb Nb0 1 0.00000000 0.00000000 0.00000000 1.0 As As1 1 0.75000000 0.25000000 0.50000000 1.0 As As2 1 0.25000000 0.75000000 0.50000000 1.0 As As3 1 0.50000000 0.50000000 0.00000000 1.0