data_[Tb12Tl2Sn4Se6]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0537]
_cell_length_b [4.2147]
_cell_length_c [8.6793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6TlSn2Se3]
_chemical_formula_sum '[Tb12 Tl2 Sn4 Se6]'
_cell_volume [653.5250]
_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  0.0090  0.0000  0.7342  1.0
  Tb  Tb1  4  0.1665  0.5000  0.5769  1.0
  Tb  Tb2  4  0.1724  0.5000  0.0661  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.1590  0.0000  0.3123  1.0
  Se  Se5  4  0.1685  0.0000  0.8230  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]