data_[V1S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8150]
_cell_length_b [6.8663]
_cell_length_c [7.5786]
_cell_angle_alpha [67.0696]
_cell_angle_beta [79.3197]
_cell_angle_gamma [68.0219]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V(S3Cl)2]
_chemical_formula_sum '[V1 S6 Cl2]'
_cell_volume [258.1526]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.2225  0.8577  0.7552  1
  S  S2  2  0.3613  0.0950  0.5743  1
  S  S3  2  0.4270  0.8857  0.0864  1
  Cl  Cl4  2  0.0302  0.6403  0.1807  1
]