data_[Tb3Tl9Bi9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5045]
_cell_length_b [8.5045]
_cell_length_c [22.4528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TbTl3Bi3Se8]
_chemical_formula_sum '[Tb3 Tl9 Bi9 Se24]'
_cell_volume [1406.3637]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  9  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  9  0.0000  0.5000  0.5000  1.0
  Se  Se3  18  0.0060  0.5030  0.2396  1.0
  Se  Se4  6  0.0000  0.0000  0.2418  1.0
]