data_[Cs1Li2Cr1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [6.1191]
_cell_length_b [6.5472]
_cell_length_c [8.2724]
_cell_angle_alpha [85.5876]
_cell_angle_beta [82.8737]
_cell_angle_gamma [88.9391]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2CrCl8]
_chemical_formula_sum '[Cs1 Li2 Cr1 Cl8]'
_cell_volume [327.8718]
_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  0.5000  0.0000  0.5000  1.0
  Li  Li1  2  0.0214  0.4551  0.2640  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0489  0.0835  0.2643  1.0
  Cl  Cl4  2  0.1822  0.6864  0.0370  1.0
  Cl  Cl5  2  0.2459  0.4992  0.4984  1.0
  Cl  Cl6  2  0.3211  0.1483  0.9027  1.0
]