data_[K2Ba1Cr1Cl6]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1547]
_cell_length_b [7.5793]
_cell_length_c [7.6540]
_cell_angle_alpha [62.7888]
_cell_angle_beta [89.9853]
_cell_angle_gamma [63.1978]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2BaCrCl6]
_chemical_formula_sum '[K2 Ba1 Cr1 Cl6]'
_cell_volume [318.1888]
_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  0.2299  0.4344  0.7818  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1103  0.1286  0.1938  1.0
  Cl  Cl4  2  0.2416  0.5106  0.3445  1.0
  Cl  Cl5  2  0.3193  0.9293  0.8776  1.0
]