data_[Tb12Tl2Te4Se6]
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 [18.5918]
_cell_length_b [4.1416]
_cell_length_c [8.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6TlTe2Se3]
_chemical_formula_sum '[Tb12 Tl2 Te4 Se6]'
_cell_volume [649.7116]
_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  0.0049  0.0000  0.7413  1
  Tb  Tb1  4  0.1584  0.5000  0.6011  1
  Tb  Tb2  4  0.1676  0.5000  0.0658  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1688  0.0000  0.3385  1
  Se  Se5  4  0.1697  0.0000  0.8345  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]