data_[Cs4Li4Hf2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4153]
_cell_length_b [4.1411]
_cell_length_c [8.2765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li2HfSe4]
_chemical_formula_sum '[Cs4 Li4 Hf2 Se8]'
_cell_volume [501.1912]
_cell_formula_units_Z [2]
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  4  0.1388  0.0000  0.5637  1.0
  Li  Li1  4  0.1790  0.5000  0.9814  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0149  0.5000  0.7889  1.0
  Se  Se4  4  0.1830  0.0000  0.1525  1.0
]