data_TlPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   144.2
_cell_angle_beta   132.3
_cell_angle_gamma   61.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPbAu
_chemical_formula_sum   'Tl1 Pb1 Au1'
_cell_volume   77.18
_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  0.33  1.0
  Pb  Pb1  1  0.0  0.0  0.39  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0

data_TlPbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.57
_cell_length_c   5.65
_cell_angle_alpha   113.85
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPbAu
_chemical_formula_sum   'Tl1 Pb1 Au1'
_cell_volume   77.18
_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  0.67  0.67  0.67  1.0
  Pb  Pb1  1  0.61  0.61  0.61  1.0
  Au  Au2  1  0.99  0.99  0.99  1.0

Tl Pb Au
Tl Pb Au 0 1 o o o 0 2 o o o 1 2 o o o 