data_[V4I4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.0996]
_cell_length_b [11.8966]
_cell_length_c [6.6430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [VICl2]
_chemical_formula_sum '[V4 I4 Cl8]'
_cell_volume [482.0513]
_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  0.2629  0.0000  0.0073  1
  I  I1  4  0.0000  0.1596  0.8364  1
  Cl  Cl2  4  0.5000  0.1359  0.1558  1
  Cl  Cl3  2  0.0000  0.0000  0.2739  1
  Cl  Cl4  2  0.5000  0.0000  0.7270  1
]