data_[Nb2W2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1067]
_cell_length_b [5.7914]
_cell_length_c [6.2050]
_cell_angle_alpha [67.1198]
_cell_angle_beta [81.9371]
_cell_angle_gamma [80.3422]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbWS]
_chemical_formula_sum '[Nb2 W2 S2]'
_cell_volume [101.0522]
_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
[
  Nb  Nb0  1  0.2427  0.0176  0.6986  1
  Nb  Nb1  1  0.8061  0.1374  0.1897  1
  W  W2  1  0.4191  0.4141  0.7723  1
  W  W3  1  0.9446  0.4601  0.3768  1
  S  S4  1  0.3612  0.7871  0.4054  1
  S  S5  1  0.8165  0.6359  0.9446  1
]