data_[K2V6Cl24]
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 [P6_3/m]
_cell_length_a [12.6015]
_cell_length_b [12.6015]
_cell_length_c [8.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [K(VCl4)3]
_chemical_formula_sum '[K2 V6 Cl24]'
_cell_volume [1168.8980]
_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  0.3333  0.6667  0.7500  1
  V  V1  6  0.0976  0.7128  0.2500  1
  Cl  Cl2  12  0.2135  0.7659  0.0413  1
  Cl  Cl3  6  0.0069  0.1947  0.7500  1
  Cl  Cl4  6  0.0225  0.4857  0.7500  1
]