data_Tl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   7.76
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl4 Re2'
_cell_volume   155.06
_cell_formula_units_Z   2
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  0.59  0.51  0.0  1.0
  Tl  Tl3  1  0.18  0.25  0.0  1.0
  Tl  Tl4  1  0.98  0.13  0.48  1.0
  Tl  Tl5  1  0.79  0.63  0.48  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.39  0.88  0.48  1.0

data_Tl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   6.77
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl4 Re2'
_cell_volume   155.06
_cell_formula_units_Z   2
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  0.18  0.25  1.0
  Tl  Tl1  1  -0.0  0.59  0.51  1.0
  Tl  Tl2  1  0.48  0.79  0.63  1.0
  Tl  Tl3  1  0.48  0.98  0.13  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.48  0.39  0.88  1.0

Tl Tl Tl Tl Re Re
Tl Tl Tl Tl Re Re 0 3 o o - 0 3 o o o 0 5 o o o 0 5 o o - 1 2 - o - 1 2 - o o 1 4 o o o 1 5 o - o 1 5 o - - 2 4 + o o 2 4 + o + 2 5 + - o 3 5 o o o 4 5 o - o 4 5 o - - 5 5 o o + 