data_TlHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.0
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   33.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgPb2
_chemical_formula_sum   'Tl1 Hg1 Pb2'
_cell_volume   119.67
_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  Tl3  1  0.28  0.0  0.93  1.0
  Hg  Hg0  1  0.44  0.0  0.48  1.0
  Pb  Pb1  1  0.6  0.0  0.02  1.0
  Pb  Pb2  1  0.14  0.0  0.44  1.0

data_TlHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.0
_cell_length_c   6.06
_cell_angle_alpha   99.44
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgPb2
_chemical_formula_sum   'Tl1 Hg1 Pb2'
_cell_volume   119.67
_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  0.0  0.93  0.28  1.0
  Hg  Hg1  1  0.0  0.48  0.44  1.0
  Pb  Pb2  1  0.0  0.02  0.6  1.0
  Pb  Pb3  1  0.0  0.44  0.14  1.0

Tl Hg Pb Pb
Tl Hg Pb Pb 0 2 o o + 1 3 o o o 