data_[Tb2Tl6Bi4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4141]
_cell_length_b [12.8415]
_cell_length_c [8.0752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTl3(BiSe3)2]
_chemical_formula_sum '[Tb2 Tl6 Bi4 Se12]'
_cell_volume [731.9014]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1673  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.3336  0.0000  1.0
  Se  Se4  8  0.2340  0.1635  0.2115  1.0
  Se  Se5  4  0.2434  0.5000  0.2110  1.0
]