data_[Cs1Li1Cr2Cl8]
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-3]
_cell_length_a [6.6711]
_cell_length_b [6.6711]
_cell_length_c [9.4291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsLi(CrCl4)2]
_chemical_formula_sum '[Cs1 Li1 Cr2 Cl8]'
_cell_volume [363.4096]
_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  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Cr  Cr2  2  0.3333  0.6667  0.7200  1
  Cl  Cl3  6  0.0248  0.3246  0.6670  1
  Cl  Cl4  2  0.3333  0.6667  0.9525  1
]