data_Tl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   16.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl16 Re8'
_cell_volume   672.18
_cell_formula_units_Z   8
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  Tl8  1  0.0  0.99  0.34  1.0
  Tl  Tl9  1  0.45  0.99  0.93  1.0
  Tl  Tl10  1  0.45  0.99  0.21  1.0
  Tl  Tl11  1  0.0  0.99  0.07  1.0
  Tl  Tl12  1  0.73  0.99  0.14  1.0
  Tl  Tl13  1  0.45  0.0  0.14  1.0
  Tl  Tl14  1  0.27  0.99  0.14  1.0
  Tl  Tl15  1  0.73  0.99  0.0  1.0
  Tl  Tl16  1  0.45  0.0  0.0  1.0
  Tl  Tl17  1  0.27  0.99  0.0  1.0
  Tl  Tl18  1  0.05  0.11  0.2  1.0
  Tl  Tl19  1  0.0  0.74  0.2  1.0
  Tl  Tl20  1  0.95  0.11  0.2  1.0
  Tl  Tl21  1  0.4  0.87  0.07  1.0
  Tl  Tl22  1  0.45  0.25  0.07  1.0
  Tl  Tl23  1  0.5  0.87  0.07  1.0
  Re  Re0  1  0.0  0.0  0.21  1.0
  Re  Re1  1  0.0  0.0  0.06  1.0
  Re  Re2  1  0.0  0.0  0.08  1.0
  Re  Re3  1  0.0  0.0  0.19  1.0
  Re  Re4  1  0.0  0.99  0.16  1.0
  Re  Re5  1  0.45  0.99  0.11  1.0
  Re  Re6  1  0.45  0.99  0.29  1.0
  Re  Re7  1  0.0  0.99  0.98  1.0

data_Tl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   16.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl16 Re8'
_cell_volume   672.18
_cell_formula_units_Z   8
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  0.74  0.2  1.0
  Tl  Tl1  1  0.0  0.99  0.07  1.0
  Tl  Tl2  1  0.0  0.99  0.34  1.0
  Tl  Tl3  1  0.05  0.11  0.2  1.0
  Tl  Tl4  1  0.27  0.99  0.0  1.0
  Tl  Tl5  1  0.27  0.99  0.14  1.0
  Tl  Tl6  1  0.4  0.87  0.07  1.0
  Tl  Tl7  1  0.45  0.0  0.0  1.0
  Tl  Tl8  1  0.45  0.0  0.14  1.0
  Tl  Tl9  1  0.45  0.25  0.07  1.0
  Tl  Tl10  1  0.45  0.99  0.21  1.0
  Tl  Tl11  1  0.45  0.99  0.93  1.0
  Tl  Tl12  1  0.5  0.87  0.07  1.0
  Tl  Tl13  1  0.73  0.99  0.0  1.0
  Tl  Tl14  1  0.73  0.99  0.14  1.0
  Tl  Tl15  1  0.95  0.11  0.2  1.0
  Re  Re16  1  0.0  0.0  0.06  1.0
  Re  Re17  1  0.0  0.0  0.08  1.0
  Re  Re18  1  0.0  0.0  0.19  1.0
  Re  Re19  1  0.0  0.0  0.21  1.0
  Re  Re20  1  0.0  0.99  0.16  1.0
  Re  Re21  1  0.0  0.99  0.98  1.0
  Re  Re22  1  0.45  0.99  0.11  1.0
  Re  Re23  1  0.45  0.99  0.29  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Re Re Re Re Re Re Re Re