data_[Rb8Hf4Al4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8112]
_cell_length_b [20.8058]
_cell_length_c [14.8896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2HfAlSe5]
_chemical_formula_sum '[Rb8 Hf4 Al4 Se20]'
_cell_volume [1180.6777]
_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
[
  Rb  Rb0  4  0.0000  0.1281  0.3155  1.0
  Rb  Rb1  4  0.0000  0.1313  0.6878  1.0
  Hf  Hf2  4  0.0000  0.2068  0.0243  1.0
  Al  Al3  4  0.0000  0.4245  0.4292  1.0
  Se  Se4  4  0.0000  0.0665  0.0303  1.0
  Se  Se5  4  0.0000  0.2984  0.6456  1.0
  Se  Se6  4  0.0000  0.3098  0.3916  1.0
  Se  Se7  4  0.0000  0.3286  0.0017  1.0
  Se  Se8  4  0.0000  0.4873  0.2979  1.0
]