data_[Tb12Tl6Se4S2]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8279]
_cell_length_b [11.8302]
_cell_length_c [8.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Tl3Se2S]
_chemical_formula_sum '[Tb12 Tl6 Se4 S2]'
_cell_volume [638.4673]
_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  8  0.2323  0.8372  0.2116  1.0
  Tb  Tb1  4  0.2486  0.5000  0.2171  1.0
  Tl  Tl2  4  0.0000  0.1740  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0000  0.3351  0.0000  1.0
  S  S5  2  0.0000  0.0000  0.0000  1.0
]