data_[V2S2Cl2]
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 [P2_1/m]
_cell_length_a [5.0968]
_cell_length_b [3.1958]
_cell_length_c [7.8762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VSCl]
_chemical_formula_sum '[V2 S2 Cl2]'
_cell_volume [128.0941]
_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  2  0.3281  0.2500  0.9024  1.0
  S  S1  2  0.2223  0.7500  0.0998  1.0
  Cl  Cl2  2  0.2693  0.7500  0.6785  1.0
]