data_Tl2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdPb
_chemical_formula_sum   'Tl2 Pd1 Pb1'
_cell_volume   102.59
_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  0.6  0.29  0.74  1.0
  Tl  Tl3  1  0.6  0.71  0.74  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.21  0.0  0.0  1.0

data_Tl2PdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   110.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PdPb
_chemical_formula_sum   'Tl2 Pd1 Pb1'
_cell_volume   102.59
_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  0.74  0.6  0.29  1.0
  Tl  Tl1  1  0.74  0.6  0.71  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.21  0.0  1.0

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