data_[Tl4Sn1Hg2Pb2]
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
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6307]
_cell_length_b [6.6890]
_cell_length_c [6.7788]
_cell_angle_alpha [76.5154]
_cell_angle_beta [77.0667]
_cell_angle_gamma [79.5145]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl4Sn(HgPb)2]
_chemical_formula_sum '[Tl4 Sn1 Hg2 Pb2]'
_cell_volume [282.2653]
_cell_formula_units_Z [1]
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  0.3292  0.8298  0.6152  1.0
  Tl  Tl1  2  0.3983  0.6870  0.1544  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.2040  0.2253  0.2231  1.0
  Pb  Pb4  2  0.1680  0.3721  0.6458  1.0
]