data_[K2Ba1V1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8705]
_cell_length_b [8.9774]
_cell_length_c [7.7026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2BaVCl8]
_chemical_formula_sum '[K2 Ba1 V1 Cl8]'
_cell_volume [382.5850]
_cell_formula_units_Z [1]
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  0.5000  0.2431  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0614  0.1890  0.8046  1.0
  Cl  Cl4  2  0.3979  0.0000  0.1721  1.0
  Cl  Cl5  2  0.4718  0.5000  0.7487  1.0
]