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 [P1]
_cell_length_a [11.4124]
_cell_length_b [12.2396]
_cell_length_c [18.8145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.5079]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VCl4]
_chemical_formula_sum '[V4 Cl16]'
_cell_volume [2627.1550]
_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  1  0.1631  0.7023  0.4626  1
  V  V1  1  0.3373  0.2042  0.5379  1
  V  V2  1  0.6655  0.6960  0.5373  1
  V  V3  1  0.8342  0.1978  0.4623  1
  Cl  Cl4  1  0.0221  0.7740  0.4052  1
  Cl  Cl5  1  0.1321  0.5292  0.4703  1
  Cl  Cl6  1  0.1737  0.2276  0.5912  1
  Cl  Cl7  1  0.1739  0.7707  0.5674  1
  Cl  Cl8  1  0.3246  0.7351  0.4072  1
  Cl  Cl9  1  0.3359  0.2873  0.4375  1
  Cl  Cl10  1  0.3614  0.0331  0.5205  1
  Cl  Cl11  1  0.4775  0.2688  0.6026  1
  Cl  Cl12  1  0.5223  0.7652  0.5941  1
  Cl  Cl13  1  0.6394  0.5222  0.5306  1
  Cl  Cl14  1  0.6703  0.2223  0.4094  1
  Cl  Cl15  1  0.6744  0.7628  0.4320  1
  Cl  Cl16  1  0.8262  0.7330  0.5925  1
  Cl  Cl17  1  0.8312  0.2734  0.5651  1
  Cl  Cl18  1  0.8609  0.0261  0.4746  1
  Cl  Cl19  1  0.9739  0.2689  0.3999  1
]