data_[Rb12Tb9Hf3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3384]
_cell_length_b [8.3384]
_cell_length_c [24.0246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Tb3HfSe8]
_chemical_formula_sum '[Rb12 Tb9 Hf3 Se24]'
_cell_volume [1446.6099]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  3  -0.0000  -0.0000  0.5000  1.0
  Tb  Tb2  9  0.0000  0.5000  0.0000  1.0
  Hf  Hf3  3  0.0000  0.0000  0.0000  1.0
  Se  Se4  18  0.0164  0.5082  0.7312  1.0
  Se  Se5  6  0.0000  0.0000  0.2667  1.0
]