data_[K2V2Br2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7194]
_cell_length_b [13.4128]
_cell_length_c [6.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KVBrCl6]
_chemical_formula_sum '[K2 V2 Br2 Cl12]'
_cell_volume [593.7896]
_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
[
  K  K0  2  0.0000  0.6652  0.5000  1.0
  V  V1  2  0.0000  0.3205  0.5000  1.0
  Br  Br2  2  0.0000  0.9616  0.0000  1.0
  Cl  Cl3  4  0.1553  0.4645  0.8034  1.0
  Cl  Cl4  4  0.1729  0.2076  0.7720  1.0
  Cl  Cl5  4  0.2265  0.3551  0.3846  1.0
]