data_[Cs1Ba2Cr1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.4726]
_cell_length_b [7.1032]
_cell_length_c [9.3034]
_cell_angle_alpha [71.8696]
_cell_angle_beta [75.0086]
_cell_angle_gamma [70.6201]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsBa2CrCl8]
_chemical_formula_sum '[Cs1 Ba2 Cr1 Cl8]'
_cell_volume [377.6567]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  2  0.3900  0.3784  0.7866  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0514  0.2389  0.1100  1.0
  Cl  Cl4  2  0.0699  0.7274  0.2235  1.0
  Cl  Cl5  2  0.3808  0.8982  0.8993  1.0
  Cl  Cl6  2  0.4566  0.2831  0.4759  1.0
]