data_[K1Ba2Cr1Cl8]
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 [6.7260]
_cell_length_b [7.3455]
_cell_length_c [8.9573]
_cell_angle_alpha [67.6780]
_cell_angle_beta [87.5766]
_cell_angle_gamma [80.2555]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KBa2CrCl8]
_chemical_formula_sum '[K1 Ba2 Cr1 Cl8]'
_cell_volume [403.3589]
_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  1  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  2  0.4737  0.0494  0.2285  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0114  0.9662  0.7447  1.0
  Cl  Cl4  2  0.2028  0.2515  0.8946  1.0
  Cl  Cl5  2  0.2899  0.7555  0.0911  1.0
  Cl  Cl6  2  0.4225  0.2826  0.4463  1.0
]