# generated using pymatgen data_Nb4As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55532114 _cell_length_b 7.60013686 _cell_length_c 18.83721212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.52669775 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4As3 _chemical_formula_sum 'Nb16 As12' _cell_volume 494.87983583 _cell_formula_units_Z 4 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 0.26369589 0.52739279 0.15984568 1.0 Nb Nb1 1 0.73630411 0.47260721 0.84015432 1.0 Nb Nb2 1 0.73630411 0.47260721 0.65984568 1.0 Nb Nb3 1 0.26369589 0.52739279 0.34015432 1.0 Nb Nb4 1 0.46844670 0.93689241 0.11927079 1.0 Nb Nb5 1 0.53155330 0.06310759 0.88072921 1.0 Nb Nb6 1 0.53155330 0.06310759 0.61927079 1.0 Nb Nb7 1 0.46844670 0.93689241 0.38072921 1.0 Nb Nb8 1 0.32819664 0.65639329 0.97338011 1.0 Nb Nb9 1 0.67180336 0.34360671 0.02661989 1.0 Nb Nb10 1 0.67180336 0.34360671 0.47338011 1.0 Nb Nb11 1 0.32819664 0.65639329 0.52661989 1.0 Nb Nb12 1 -0.00000000 -0.00000000 0.00000000 1.0 Nb Nb13 1 -0.00000000 -0.00000000 0.50000000 1.0 Nb Nb14 1 0.94337495 0.88674791 0.75000000 1.0 Nb Nb15 1 0.05662505 0.11325209 0.25000000 1.0 As As16 1 0.10017184 0.20034368 0.11699215 1.0 As As17 1 0.89982816 0.79965632 0.88300785 1.0 As As18 1 0.89982816 0.79965632 0.61699215 1.0 As As19 1 0.10017184 0.20034368 0.38300785 1.0 As As20 1 0.15537366 0.31074532 0.92153206 1.0 As As21 1 0.84462634 0.68925468 0.07846794 1.0 As As22 1 0.84462634 0.68925468 0.42153206 1.0 As As23 1 0.15537366 0.31074532 0.57846794 1.0 As As24 1 0.30447726 0.60895553 0.75000000 1.0 As As25 1 0.69552274 0.39104447 0.25000000 1.0 As As26 1 0.58343503 0.16687207 0.75000000 1.0 As As27 1 0.41656497 0.83312793 0.25000000 1.0