data_[Tb9Tl12In3Se24]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3778]
_cell_length_b [8.3778]
_cell_length_c [23.3234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3Tl4InSe8]
_chemical_formula_sum '[Tb9 Tl12 In3 Se24]'
_cell_volume [1417.6921]
_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  9  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  9  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  3  -0.0000  -0.0000  0.5000  1.0
  In  In3  3  -0.0000  -0.0000  0.0000  1.0
  Se  Se4  18  0.0058  0.5029  0.7346  1.0
  Se  Se5  6  0.0000  0.0000  0.2648  1.0
]