data_Tl2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   146.09
_cell_angle_beta   129.96
_cell_angle_gamma   61.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgPb
_chemical_formula_sum   'Tl2 Ag1 Pb1'
_cell_volume   110.57
_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  0.86  0.0  0.45  1.0
  Tl  Tl3  1  0.0  0.7  0.03  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.48  1.0

data_Tl2AgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.41
_cell_length_c   6.39
_cell_angle_alpha   115.02
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgPb
_chemical_formula_sum   'Tl2 Ag1 Pb1'
_cell_volume   110.57
_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  0.41  0.55  0.41  1.0
  Tl  Tl1  1  0.97  0.67  0.67  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.52  0.52  0.52  1.0

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