data_TlHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   5.8
_cell_angle_alpha   99.23
_cell_angle_beta   99.23
_cell_angle_gamma   32.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2Pb
_chemical_formula_sum   'Tl1 Hg2 Pb1'
_cell_volume   115.48
_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  0.21  0.0  0.3  1.0
  Hg  Hg0  1  0.01  0.0  0.01  1.0
  Hg  Hg1  1  0.54  0.0  0.43  1.0
  Pb  Pb2  1  0.37  0.0  0.83  1.0

data_TlHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.8
_cell_length_c   6.11
_cell_angle_alpha   99.23
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2Pb
_chemical_formula_sum   'Tl1 Hg2 Pb1'
_cell_volume   115.48
_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  0.3  0.21  1.0
  Hg  Hg1  1  0.0  0.01  0.01  1.0
  Hg  Hg2  1  0.0  0.43  0.54  1.0
  Pb  Pb3  1  0.0  0.83  0.37  1.0

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