data_Tl2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   6.04
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   34.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdPb
_chemical_formula_sum   'Tl2 Cd1 Pb1'
_cell_volume   117.41
_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  0.23  0.0  0.93  1.0
  Tl  Tl3  1  0.28  0.0  0.52  1.0
  Cd  Cd0  1  0.12  0.0  0.98  1.0
  Pb  Pb1  1  0.98  0.0  0.4  1.0

data_Tl2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.94
_cell_length_c   6.04
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   107.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdPb
_chemical_formula_sum   'Tl2 Cd1 Pb1'
_cell_volume   117.41
_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  0.72  0.48  1.0
  Tl  Tl1  1  0.0  0.77  0.07  1.0
  Cd  Cd2  1  0.0  0.88  0.02  1.0
  Pb  Pb3  1  0.0  0.02  0.6  1.0

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