data_Tl2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.94
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsPb
_chemical_formula_sum   'Tl2 As1 Pb1'
_cell_volume   113.14
_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  0.7  0.47  0.17  1.0
  Tl  Tl3  1  0.7  0.47  0.59  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.38  1.0

data_Tl2AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.94
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsPb
_chemical_formula_sum   'Tl2 As1 Pb1'
_cell_volume   113.14
_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  0.7  0.47  0.17  1.0
  Tl  Tl1  1  0.7  0.47  0.59  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.38  1.0

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