data_[Tb12Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.2687]
_cell_length_b [4.1601]
_cell_length_c [12.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6BiTe3]
_chemical_formula_sum '[Tb12 Bi2 Te6]'
_cell_volume [621.5425]
_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  0.0437  0.2500  0.8797  1.0
  Tb  Tb1  2  0.1209  0.7500  0.4585  1.0
  Tb  Tb2  2  0.2130  0.2500  0.2324  1.0
  Tb  Tb3  2  0.2479  0.2500  0.6998  1.0
  Tb  Tb4  2  0.4231  0.7500  0.1151  1.0
  Tb  Tb5  2  0.4842  0.7500  0.6443  1.0
  Bi  Bi6  2  0.0460  0.7500  0.6888  1.0
  Te  Te7  2  0.1678  0.7500  0.0436  1.0
  Te  Te8  2  0.3246  0.2500  0.4849  1.0
  Te  Te9  2  0.3879  0.7500  0.8574  1.0
]