data_[Tb12Bi2Te4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6233]
_cell_length_b [4.2291]
_cell_length_c [8.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6BiTe2Se3]
_chemical_formula_sum '[Tb12 Bi2 Te4 Se6]'
_cell_volume [654.8314]
_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  0.0070  0.0000  0.7347  1
  Tb  Tb1  4  0.1589  0.5000  0.6005  1
  Tb  Tb2  4  0.1725  0.5000  0.0617  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1677  0.0000  0.3334  1
  Se  Se5  4  0.1671  0.0000  0.8310  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]