data_Tl2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   4.79
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Au
_chemical_formula_sum   'Tl8 Au4'
_cell_volume   320.02
_cell_formula_units_Z   4
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  Tl4  1  0.74  0.2  0.95  1.0
  Tl  Tl5  1  0.92  0.59  0.64  1.0
  Tl  Tl6  1  0.19  0.2  0.75  1.0
  Tl  Tl7  1  0.37  0.59  0.44  1.0
  Tl  Tl8  1  0.65  0.2  0.69  1.0
  Tl  Tl9  1  0.02  0.59  1.0  1.0
  Tl  Tl10  1  0.09  0.2  0.39  1.0
  Tl  Tl11  1  0.46  0.59  0.7  1.0
  Au  Au0  1  0.59  0.2  0.4  1.0
  Au  Au1  1  0.97  0.59  0.71  1.0
  Au  Au2  1  0.14  0.2  0.68  1.0
  Au  Au3  1  0.52  0.59  0.99  1.0

data_Tl2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.79
_cell_length_b   7.11
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tl2Au
_chemical_formula_sum   'Tl8 Au4'
_cell_volume   320.02
_cell_formula_units_Z   4
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  2  0.3  0.09  1.0  1.0
  Tl  Tl1  2  0.3  0.19  0.25  1.0
  Tl  Tl2  2  0.3  0.54  0.7  1.0
  Tl  Tl3  2  0.3  0.63  0.05  1.0
  Au  Au4  2  0.3  0.03  0.71  1.0
  Au  Au5  2  0.3  0.59  0.99  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Au Au Au Au
Tl Tl Tl Tl Tl Tl Tl Tl Au Au Au Au 0 4 o o o 0 11 o o o 0 5 + o o 1 9 o o o 1 4 o o o 1 5 + o o 1 6 + o o 2 10 o o o 2 5 o o o 2 6 o o o 2 7 o o o 3 6 o o o 3 8 o o o 3 7 o o o 4 8 o o o 4 7 o o o 5 9 - o o 6 10 o o o 7 11 o o o 