data_Tl2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   4.17
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   115.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PtPb
_chemical_formula_sum   'Tl2 Pt1 Pb1'
_cell_volume   111.08
_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  0.08  0.15  1.0
  Tl  Tl3  1  0.59  0.08  0.1  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.3  0.0  0.63  1.0

data_Tl2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   5.08
_cell_length_c   5.81
_cell_angle_alpha   115.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PtPb
_chemical_formula_sum   'Tl2 Pt1 Pb1'
_cell_volume   111.08
_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  0.92  0.41  0.9  1.0
  Tl  Tl1  1  0.92  1.0  0.85  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.7  0.37  1.0

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