data_[Tb12Bi2Sb4Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2442]
_cell_length_b [4.4062]
_cell_length_c [8.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6BiSb2Te3]
_chemical_formula_sum '[Tb12 Bi2 Sb4 Te6]'
_cell_volume [727.9001]
_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  0.0035  0.0000  0.2512  1.0
  Tb  Tb1  4  0.1676  0.5000  0.0931  1.0
  Tb  Tb2  4  0.1697  0.5000  0.5775  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1669  0.0000  0.3339  1.0
  Te  Te5  4  0.1652  0.0000  0.8335  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]