data_[V4Zn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5442]
_cell_length_b [10.7562]
_cell_length_c [6.3636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2ZnCl6]
_chemical_formula_sum '[V4 Zn2 Cl12]'
_cell_volume [414.1832]
_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  4  0.0000  0.3298  0.5000  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl2  8  0.2282  0.3305  0.2693  1.0
  Cl  Cl3  4  0.2112  0.5000  0.7576  1.0
]