data_[V2Cl4]
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 [4.1680]
_cell_length_b [17.5083]
_cell_length_c [17.5083]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VCl2]
_chemical_formula_sum '[V2 Cl4]'
_cell_volume [1106.4728]
_cell_formula_units_Z [2]
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  0.3045  0.9524  0.4504  1
  V  V1  1  0.7252  0.0218  0.5227  1
  Cl  Cl2  1  0.0631  0.0693  0.4470  1
  Cl  Cl3  1  0.0633  0.9395  0.5621  1
  Cl  Cl4  1  0.6073  0.1403  0.6460  1
  Cl  Cl5  1  0.7365  0.8768  0.3718  1
]