data_[V4Cl12]
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 [C2/m]
_cell_length_a [6.2194]
_cell_length_b [10.7670]
_cell_length_c [6.7585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCl3]
_chemical_formula_sum '[V4 Cl12]'
_cell_volume [431.0643]
_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  0.1666  0.0000  1.0
  Cl  Cl1  8  0.2440  0.1864  0.7898  1.0
  Cl  Cl2  4  0.1964  0.0000  0.2110  1.0
]