data_[Nb4V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4088]
_cell_length_b [6.1935]
_cell_length_c [6.5576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb2VS4]
_chemical_formula_sum '[Nb4 V2 S8]'
_cell_volume [250.1856]
_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  2  0.2867  0.2500  0.9801  1
  Nb  Nb1  2  0.2953  0.2500  0.4199  1
  V  V2  2  0.2330  0.7500  0.2020  1
  S  S3  4  0.4868  0.0042  0.7473  1
  S  S4  2  0.0215  0.2500  0.6233  1
  S  S5  2  0.0223  0.7500  0.8742  1
]