data_[Tb12Tl2Sn4Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3956]
_cell_length_b [4.3789]
_cell_length_c [8.9019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6TlSn2Te3]
_chemical_formula_sum '[Tb12 Tl2 Sn4 Te6]'
_cell_volume [724.4871]
_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  0.0001  0.0000  0.7492  1.0
  Tb  Tb1  4  0.1667  0.5000  0.0856  1.0
  Tb  Tb2  4  0.1700  0.5000  0.5720  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.1642  0.0000  0.3260  1.0
  Te  Te5  4  0.1674  0.0000  0.8289  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]