data_[V8Se4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [7.3432]
_cell_length_b [7.8832]
_cell_length_c [5.4830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [V2SeS]
_chemical_formula_sum '[V8 Se4 S4]'
_cell_volume [317.3967]
_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
[
  V  V0  4  0.2500  0.2500  0.9690  1
  V  V1  2  0.0000  0.0000  0.0026  1
  V  V2  2  0.0000  0.0000  0.5231  1
  Se  Se3  4  0.0000  0.2550  0.2653  1
  S  S4  4  0.2406  0.5000  0.7528  1
]