data_[Cs1Li2Hf1Cl8]
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
  Hf  1.3000  1.5500  0.8500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6652]
_cell_length_b [6.4353]
_cell_length_c [9.4278]
_cell_angle_alpha [93.6994]
_cell_angle_beta [105.5503]
_cell_angle_gamma [90.9573]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2HfCl8]
_chemical_formula_sum '[Cs1 Li2 Hf1 Cl8]'
_cell_volume [330.2341]
_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  0.3475  0.4868  0.7972  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1252  0.1301  0.7879  1.0
  Cl  Cl4  2  0.2501  0.4987  0.5189  1.0
  Cl  Cl5  2  0.2646  0.6949  0.0128  1.0
  Cl  Cl6  2  0.3207  0.2112  0.1751  1.0
]