data_[Nb8As12W16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7176]
_cell_length_b [5.5410]
_cell_length_c [13.0770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2As3W4N3]
_chemical_formula_sum '[Nb8 As12 W16 N12]'
_cell_volume [664.4707]
_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  8  0.0699  0.4807  0.8864  1
  As  As1  8  0.1849  0.3731  0.2429  1
  As  As2  4  0.0000  0.0928  0.7500  1
  W  W3  8  0.1113  0.0683  0.0808  1
  W  W4  8  0.2283  0.0787  0.4086  1
  N  N5  8  0.0538  0.2912  0.5304  1
  N  N6  4  0.2500  0.2500  0.0000  1
]