data_[Tl1Hg2Pb1]
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 [Pm]
_cell_length_a [3.4028]
_cell_length_b [6.0443]
_cell_length_c [6.0355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlHg2Pb]
_chemical_formula_sum '[Tl1 Hg2 Pb1]'
_cell_volume [123.8112]
_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  1  0.2612  0.5000  0.7141  1.0
  Hg  Hg1  1  0.5693  0.5000  0.2262  1.0
  Hg  Hg2  1  0.9262  0.0000  0.0315  1.0
  Pb  Pb3  1  0.7432  0.0000  0.5282  1.0
]