data_[W4N4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.4180]
_cell_length_b [8.5548]
_cell_length_c [9.3186]
_cell_angle_alpha [108.4455]
_cell_angle_beta [98.0621]
_cell_angle_gamma [109.3159]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [WNCl3]
_chemical_formula_sum '[W4 N4 Cl12]'
_cell_volume [577.8441]
_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
[
  W  W0  2  0.1566  0.3867  0.3804  1.0
  W  W1  2  0.4466  0.4937  0.7702  1.0
  N  N2  2  0.2884  0.4544  0.6059  1.0
  N  N3  2  0.3373  0.4467  0.3079  1.0
  Cl  Cl4  2  0.0686  0.7096  0.8398  1.0
  Cl  Cl5  2  0.1138  0.0963  0.3452  1.0
  Cl  Cl6  2  0.1401  0.6737  0.4736  1.0
  Cl  Cl7  2  0.2783  0.4427  0.9461  1.0
  Cl  Cl8  2  0.4438  0.2090  0.7005  1.0
  Cl  Cl9  2  0.4578  0.1996  0.1024  1.0
]