data_Tl2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdPb
_chemical_formula_sum   'Tl2 Cd1 Pb1'
_cell_volume   119.13
_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  Tl2  1  0.0  0.0  0.01  1.0
  Tl  Tl3  1  0.91  0.0  0.1  1.0
  Cd  Cd0  1  0.0  0.0  0.52  1.0
  Pb  Pb1  1  0.91  0.0  0.9  1.0

data_Tl2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdPb
_chemical_formula_sum   'Tl2 Cd1 Pb1'
_cell_volume   119.13
_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  0.0  0.01  1.0
  Tl  Tl1  1  0.91  0.0  0.1  1.0
  Cd  Cd2  1  0.0  0.0  0.52  1.0
  Pb  Pb3  1  0.91  0.0  0.9  1.0

Tl Tl Cd Pb
Tl Tl Cd Pb 0 3 - o - 0 1 - o o 2 2 + + o 2 2 o + o 2 2 + o o 