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 [Pca2_1]
_cell_length_a [13.1259]
_cell_length_b [18.5144]
_cell_length_c [12.5453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [VCl4]
_chemical_formula_sum '[V4 Cl16]'
_cell_volume [3048.7398]
_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  0.0027  0.9994  0.2999  1
  Cl  Cl1  4  0.0043  0.9973  0.4708  1
  Cl  Cl2  4  0.0790  0.9053  0.2401  1
  Cl  Cl3  4  0.0791  0.0949  0.2450  1
  Cl  Cl4  4  0.1519  0.9999  0.7444  1
]