data_[V4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.8672]
_cell_length_b [6.7732]
_cell_length_c [12.3525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [VCl4]
_chemical_formula_sum '[V4 Cl16]'
_cell_volume [794.7224]
_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  0.2368  0.1556  0.9253  1.0
  Cl  Cl1  4  0.0374  0.2852  0.9216  1.0
  Cl  Cl2  4  0.2032  0.1372  0.3578  1.0
  Cl  Cl3  4  0.3404  0.3296  0.8265  1.0
  Cl  Cl4  4  0.3655  0.1448  0.0957  1.0
]