data_[Tl6Sn2Pb8]
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 [Imm2]
_cell_length_a [6.6522]
_cell_length_b [11.4117]
_cell_length_c [6.6930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl3SnPb4]
_chemical_formula_sum '[Tl6 Sn2 Pb8]'
_cell_volume [508.0860]
_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  4  0.0000  0.2451  0.4220  1.0
  Tl  Tl1  2  0.0000  0.0000  0.1565  1.0
  Sn  Sn2  2  0.0000  0.5000  0.6357  1.0
  Pb  Pb3  4  0.0000  0.2753  0.9237  1.0
  Pb  Pb4  4  0.2473  0.5000  0.1827  1.0
]