data_[Rb6Hf9Tl3Se24]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8265]
_cell_length_b [7.8265]
_cell_length_c [25.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Hf3TlSe8]
_chemical_formula_sum '[Rb6 Hf9 Tl3 Se24]'
_cell_volume [1373.6910]
_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  3  0.0000  0.0000  0.1451  1.0
  Rb  Rb1  3  0.0000  0.0000  0.4946  1.0
  Hf  Hf2  9  0.0011  0.5006  0.9998  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8730  1.0
  Se  Se4  9  0.0255  0.5127  0.2722  1.0
  Se  Se5  9  0.1723  0.3447  0.0552  1.0
  Se  Se6  3  0.0000  0.0000  0.2731  1.0
  Se  Se7  3  0.0000  0.0000  0.7252  1.0
]