data_Tl2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   143.58
_cell_angle_beta   130.05
_cell_angle_gamma   63.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsPb
_chemical_formula_sum   'Tl2 As1 Pb1'
_cell_volume   118.64
_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  0.0  0.84  1.0
  Tl  Tl3  1  0.01  0.0  0.06  1.0
  As  As0  1  0.0  0.0  0.68  1.0
  Pb  Pb1  1  0.0  0.71  0.25  1.0

data_Tl2AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   5.42
_cell_length_c   6.42
_cell_angle_alpha   114.98
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsPb
_chemical_formula_sum   'Tl2 As1 Pb1'
_cell_volume   118.64
_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  0.16  0.16  0.16  1.0
  Tl  Tl1  1  0.94  0.94  0.94  1.0
  As  As2  1  0.32  0.32  0.32  1.0
  Pb  Pb3  1  0.75  0.46  0.46  1.0

Tl Tl As Pb