data_[Tb4Tl6Sn2Se12]
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 [19.6649]
_cell_length_b [4.1615]
_cell_length_c [9.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tl3SnSe6]
_chemical_formula_sum '[Tb4 Tl6 Sn2 Se12]'
_cell_volume [705.9116]
_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  0.1671  0.0000  0.3352  1.0
  Tl  Tl1  4  0.1683  0.0000  0.8369  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0095  0.0000  0.2294  1.0
  Se  Se5  4  0.1572  0.5000  0.1101  1.0
  Se  Se6  4  0.1768  0.5000  0.5614  1.0
]