data_Tl2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiPb
_chemical_formula_sum   'Tl2 Bi1 Pb1'
_cell_volume   125.35
_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  0.73  0.64  0.72  1.0
  Tl  Tl3  1  0.73  0.36  0.72  1.0
  Bi  Bi0  1  0.45  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0

data_Tl2BiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   113.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiPb
_chemical_formula_sum   'Tl2 Bi1 Pb1'
_cell_volume   125.35
_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  0.72  0.73  0.36  1.0
  Tl  Tl1  1  0.72  0.73  0.64  1.0
  Bi  Bi2  1  0.0  0.45  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

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