data_[Tb12Tl2Te6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.2085]
_cell_length_b [4.0597]
_cell_length_c [12.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6TlTe3]
_chemical_formula_sum '[Tb12 Tl2 Te6]'
_cell_volume [616.9250]
_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  2  0.0576  0.2500  0.8832  1.0
  Tb  Tb1  2  0.1195  0.7500  0.4654  1.0
  Tb  Tb2  2  0.2114  0.2500  0.2442  1.0
  Tb  Tb3  2  0.2508  0.2500  0.7045  1.0
  Tb  Tb4  2  0.4172  0.7500  0.1130  1.0
  Tb  Tb5  2  0.4864  0.7500  0.6489  1.0
  Tl  Tl6  2  0.0392  0.7500  0.6892  1.0
  Te  Te7  2  0.1629  0.7500  0.0559  1.0
  Te  Te8  2  0.3300  0.2500  0.4897  1.0
  Te  Te9  2  0.3903  0.7500  0.8604  1.0
]