data_[K4V4Cl12]
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 [Pnma]
_cell_length_a [8.8469]
_cell_length_b [3.8322]
_cell_length_c [14.5550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KVCl3]
_chemical_formula_sum '[K4 V4 Cl12]'
_cell_volume [493.4505]
_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
[
  K  K0  4  0.0599  0.7500  0.6754  1.0
  V  V1  4  0.1594  0.2500  0.9473  1.0
  Cl  Cl2  4  0.0160  0.2500  0.0964  1.0
  Cl  Cl3  4  0.1797  0.2500  0.5021  1.0
  Cl  Cl4  4  0.2251  0.7500  0.2948  1.0
]