data_Tl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   8.24
_cell_angle_alpha   104.73
_cell_angle_beta   104.73
_cell_angle_gamma   31.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl4 Re2'
_cell_volume   154.72
_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  0.81  0.0  0.37  1.0
  Tl  Tl3  1  0.84  0.0  0.94  1.0
  Tl  Tl4  1  0.89  0.0  0.59  1.0
  Tl  Tl5  1  0.5  0.0  0.59  1.0
  Re  Re0  1  0.41  0.0  0.0  1.0
  Re  Re1  1  0.49  0.0  0.69  1.0

data_Tl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   6.08
_cell_length_c   8.24
_cell_angle_alpha   104.73
_cell_angle_beta   90.0
_cell_angle_gamma   105.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl4 Re2'
_cell_volume   154.72
_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  0.11  0.41  1.0
  Tl  Tl1  1  0.0  0.16  0.06  1.0
  Tl  Tl2  1  0.0  0.19  0.63  1.0
  Tl  Tl3  1  0.0  0.5  0.41  1.0
  Re  Re4  1  0.0  0.51  0.31  1.0
  Re  Re5  1  0.0  0.59  1.0  1.0

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