data_[Cs4Rb4Hf4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1189]
_cell_length_b [16.0719]
_cell_length_c [7.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsRbHfSe3]
_chemical_formula_sum '[Cs4 Rb4 Hf4 Se12]'
_cell_volume [920.1727]
_cell_formula_units_Z [4]
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  0.0000  0.2400  0.7500  1.0
  Rb  Rb1  4  0.0000  0.4091  0.2500  1.0
  Hf  Hf2  4  0.0000  0.0463  0.2500  1.0
  Se  Se3  8  0.2086  0.9600  0.5027  1.0
  Se  Se4  4  0.0000  0.2019  0.2500  1.0
]