data_Tl2ReAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   5.13
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReAu
_chemical_formula_sum   'Tl2 Re1 Au1'
_cell_volume   83.18
_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  0.56  0.76  1.0
  Tl  Tl3  1  0.47  0.56  0.0  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.47  0.0  0.76  1.0

data_Tl2ReAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.13
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReAu
_chemical_formula_sum   'Tl2 Re1 Au1'
_cell_volume   83.18
_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  0.0  0.56  0.76  1.0
  Tl  Tl1  1  0.47  0.56  0.0  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.47  0.0  0.76  1.0

Tl Tl Re Au
Tl Tl Re Au 0 1 - o + 0 1 o o + 2 3 - o - 2 3 o o - 