data_[Cs2Li2Hf2Se6]
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 [P2_1/m]
_cell_length_a [9.2301]
_cell_length_b [4.0068]
_cell_length_c [10.2066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiHfSe3]
_chemical_formula_sum '[Cs2 Li2 Hf2 Se6]'
_cell_volume [346.6873]
_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  2  0.2653  0.2500  0.2299  1
  Li  Li1  2  0.4228  0.2500  0.8979  1
  Hf  Hf2  2  0.1803  0.7500  0.6549  1
  Se  Se3  2  0.0293  0.7500  0.3624  1
  Se  Se4  2  0.2780  0.7500  0.9308  1
  Se  Se5  2  0.3676  0.2500  0.6356  1
]