data_[V4Cl12O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6246]
_cell_length_b [5.2305]
_cell_length_c [9.8086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCl3O4]
_chemical_formula_sum '[V4 Cl12 O16]'
_cell_volume [632.4542]
_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  2  0.0000  0.0000  0.0000  1
  V  V1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.0286  0.5000  0.3247  1
  Cl  Cl3  4  0.1445  0.0000  0.7517  1
  Cl  Cl4  4  0.1795  0.0000  0.2271  1
  O  O5  8  0.0370  0.2483  0.9073  1
  O  O6  8  0.0723  0.2617  0.4499  1
]