data_[Cs1Li2Ru1Cl8]
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
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2362]
_cell_length_b [7.1083]
_cell_length_c [8.2061]
_cell_angle_alpha [78.1495]
_cell_angle_beta [84.1117]
_cell_angle_gamma [86.3499]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2RuCl8]
_chemical_formula_sum '[Cs1 Li2 Ru1 Cl8]'
_cell_volume [353.7971]
_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  0.5000  0.5000  1.0
  Li  Li1  2  0.4775  0.9866  0.3282  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0897  0.0172  0.2678  1.0
  Cl  Cl4  2  0.1967  0.7146  0.0113  1.0
  Cl  Cl5  2  0.3032  0.1723  0.8776  1.0
  Cl  Cl6  2  0.4802  0.7435  0.5660  1.0
]