data_[Tb12Tl2Bi4Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2952]
_cell_length_b [4.4055]
_cell_length_c [8.9176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6TlBi2Te3]
_chemical_formula_sum '[Tb12 Tl2 Bi4 Te6]'
_cell_volume [738.2783]
_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  0.0006  0.0000  0.7596  1.0
  Tb  Tb1  4  0.1617  0.5000  0.0815  1.0
  Tb  Tb2  4  0.1676  0.5000  0.5821  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1662  0.0000  0.3338  1.0
  Te  Te5  4  0.1692  0.0000  0.8330  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]