data_[Tm12Tl4Te6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4854]
_cell_length_b [4.3442]
_cell_length_c [8.7381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Tl2Te3Pb]
_chemical_formula_sum '[Tm12 Tl4 Te6 Pb2]'
_cell_volume [687.0896]
_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
[
  Tm  Tm0  4  0.0103  0.0000  0.2505  1
  Tm  Tm1  4  0.1614  0.5000  0.6338  1
  Tm  Tm2  4  0.1702  0.5000  0.1369  1
  Tl  Tl3  4  0.1863  0.0000  0.4042  1
  Te  Te4  4  0.1629  0.0000  0.8768  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]