data_[Cs1Li2Hf1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1005]
_cell_length_b [6.9756]
_cell_length_c [9.6514]
_cell_angle_alpha [86.3774]
_cell_angle_beta [75.2168]
_cell_angle_gamma [86.6000]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2HfBr8]
_chemical_formula_sum '[Cs1 Li2 Hf1 Br8]'
_cell_volume [395.9268]
_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  0.3099  0.4487  0.2010  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1181  0.1140  0.2269  1.0
  Br  Br4  2  0.2545  0.5025  0.4784  1.0
  Br  Br5  2  0.2796  0.6898  0.9795  1.0
  Br  Br6  2  0.3021  0.2022  0.8315  1.0
]