data_[K2V4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3112]
_cell_length_b [7.6527]
_cell_length_c [7.9175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(VCl4)2]
_chemical_formula_sum '[K2 V4 Cl16]'
_cell_volume [772.9617]
_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  0.0000  0.0000  1.0
  V  V1  4  0.2005  0.0000  0.6866  1.0
  Cl  Cl2  8  0.1282  0.2277  0.7728  1.0
  Cl  Cl3  4  0.1308  0.5000  0.1882  1.0
  Cl  Cl4  4  0.1684  0.0000  0.3988  1.0
]