data_[Tl4Hg14Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4859]
_cell_length_b [17.1738]
_cell_length_c [10.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl2Hg7Pb2]
_chemical_formula_sum '[Tl4 Hg14 Pb4]'
_cell_volume [653.5102]
_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  0.3118  0.5696  1.0
  Hg  Hg1  4  0.0000  0.1619  0.3395  1.0
  Hg  Hg2  4  0.0000  0.1827  0.8092  1.0
  Hg  Hg3  4  0.0000  0.3939  0.0917  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5668  1.0
  Pb  Pb5  2  0.0000  0.0000  0.8238  1.0
  Pb  Pb6  2  0.0000  0.5000  0.8432  1.0
]