data_[Tb4Tl6Pb2Se12]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5526]
_cell_length_b [4.2322]
_cell_length_c [9.0129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tl3PbSe6]
_chemical_formula_sum '[Tb4 Tl6 Pb2 Se12]'
_cell_volume [714.4734]
_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  0.1690  0.0000  0.3345  1
  Tl  Tl1  4  0.1656  0.0000  0.8337  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Pb  Pb3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0139  0.0000  0.2518  1
  Se  Se5  4  0.1644  0.5000  0.1143  1
  Se  Se6  4  0.1756  0.5000  0.5595  1
]