data_[Tl2Sn2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0965]
_cell_length_b [6.8761]
_cell_length_c [7.8276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSnPb3]
_chemical_formula_sum '[Tl2 Sn2 Pb6]'
_cell_volume [316.6523]
_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
[
  Tl  Tl0  2  0.3625  0.7500  0.2979  1
  Sn  Sn1  2  0.4490  0.2500  0.2652  1
  Pb  Pb2  4  0.2032  0.0091  0.8898  1
  Pb  Pb3  2  0.0533  0.2500  0.4801  1
]