data_[V8Si2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4226]
_cell_length_b [4.4226]
_cell_length_c [11.1323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [V4SiS3]
_chemical_formula_sum '[V8 Si2 S6]'
_cell_volume [217.7412]
_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
[
  V  V0  4  0.0000  0.5000  0.4487  1
  V  V1  2  0.0000  0.0000  0.2955  1
  V  V2  2  0.0000  0.0000  0.8011  1
  Si  Si3  2  0.0000  0.0000  0.0460  1
  S  S4  4  0.0000  0.5000  0.2193  1
  S  S5  2  0.0000  0.0000  0.5206  1
]