data_Tl2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiPb
_chemical_formula_sum   'Tl2 Bi1 Pb1'
_cell_volume   126.88
_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  0.41  0.0  0.67  1.0
  Tl  Tl3  1  0.41  0.0  0.94  1.0
  Bi  Bi0  1  0.0  0.0  0.31  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0

data_Tl2BiPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2BiPb
_chemical_formula_sum   'Tl2 Bi1 Pb1'
_cell_volume   126.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.67  1.0
  Tl  Tl1  1  0.41  0.0  0.94  1.0
  Bi  Bi2  1  0.0  0.0  0.31  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

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