data_[Tb12Tl2Pt4Se6]
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
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9373]
_cell_length_b [4.0478]
_cell_length_c [8.5965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6TlPt2Se3]
_chemical_formula_sum '[Tb12 Tl2 Pt4 Se6]'
_cell_volume [615.5394]
_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  0.0036  0.0000  0.7320  1.0
  Tb  Tb1  4  0.1728  0.5000  0.0828  1.0
  Tb  Tb2  4  0.1771  0.5000  0.5577  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1575  0.0000  0.3081  1.0
  Se  Se5  4  0.1663  0.0000  0.8196  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]