data_[Tb12Tl6Te2Se4]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6091]
_cell_length_b [4.0572]
_cell_length_c [9.1674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Tl3TeSe2]
_chemical_formula_sum '[Tb12 Tl6 Te2 Se4]'
_cell_volume [674.9311]
_cell_formula_units_Z [2]
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  4  0.0103  0.0000  0.2512  1.0
  Tb  Tb1  4  0.1682  0.5000  0.0963  1.0
  Tb  Tb2  4  0.1733  0.5000  0.5621  1.0
  Tl  Tl3  4  0.1605  0.0000  0.8197  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1683  0.0000  0.3284  1.0
]