data_[Tl6Hg2Sb2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2588]
_cell_length_b [4.3801]
_cell_length_c [11.0694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3HgSbPb]
_chemical_formula_sum '[Tl6 Hg2 Sb2 Pb2]'
_cell_volume [372.8460]
_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  0.1659  0.7500  0.7885  1.0
  Tl  Tl1  2  0.1706  0.2500  0.5319  1.0
  Tl  Tl2  2  0.1773  0.2500  0.0471  1.0
  Hg  Hg3  2  0.4942  0.2500  0.8805  1.0
  Sb  Sb4  2  0.1705  0.7500  0.2924  1.0
  Pb  Pb5  2  0.4736  0.2500  0.3682  1.0
]