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 [Pcca]
_cell_length_a [9.5770]
_cell_length_b [19.1689]
_cell_length_c [9.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [54]
_chemical_formula_structural [VCl4]
_chemical_formula_sum '[V4 Cl16]'
_cell_volume [1663.0236]
_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  0.0000  0.5000  0.0000  1
  Cl  Cl1  8  0.0040  0.3913  0.5745  1
  Cl  Cl2  4  0.0000  0.4540  0.2500  1
  Cl  Cl3  4  0.2500  0.5000  0.4833  1
]