# generated using pymatgen data_Np3NbAs5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70554263 _cell_length_b 8.70554364 _cell_length_c 5.81475000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np3NbAs5 _chemical_formula_sum 'Np6 Nb2 As10' _cell_volume 381.63959125 _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 Np Np0 1 0.61575421 1.00000000 0.25000000 1.0 Np Np1 1 0.38424579 0.00000000 0.75000000 1.0 Np Np2 1 0.00000000 0.61575421 0.25000000 1.0 Np Np3 1 1.00000000 0.38424579 0.75000000 1.0 Np Np4 1 0.38424579 0.38424579 0.25000000 1.0 Np Np5 1 0.61575421 0.61575421 0.75000000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb7 1 0.00000000 0.00000000 0.50000000 1.0 As As8 1 0.26096850 0.00000000 0.25000000 1.0 As As9 1 0.73903150 1.00000000 0.75000000 1.0 As As10 1 1.00000000 0.26096850 0.25000000 1.0 As As11 1 0.00000000 0.73903150 0.75000000 1.0 As As12 1 0.73903150 0.73903150 0.25000000 1.0 As As13 1 0.26096850 0.26096850 0.75000000 1.0 As As14 1 0.33333300 0.66666700 0.00000000 1.0 As As15 1 0.66666700 0.33333300 0.00000000 1.0 As As16 1 0.66666700 0.33333300 0.50000000 1.0 As As17 1 0.33333300 0.66666700 0.50000000 1.0