data_TlRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   14.31
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe3
_chemical_formula_sum   'Tl6 Re18'
_cell_volume   404.13
_cell_formula_units_Z   6
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  Tl18  1  0.0  0.15  0.2  1.0
  Tl  Tl19  1  0.0  0.43  0.65  1.0
  Tl  Tl20  1  0.0  0.87  0.65  1.0
  Tl  Tl21  1  0.79  0.0  0.87  1.0
  Tl  Tl22  1  0.79  0.58  0.42  1.0
  Tl  Tl23  1  0.79  0.72  0.42  1.0
  Re  Re0  1  0.14  0.23  0.11  1.0
  Re  Re1  1  0.14  0.07  0.11  1.0
  Re  Re2  1  0.03  0.15  0.58  1.0
  Re  Re3  1  0.34  0.0  0.48  1.0
  Re  Re4  1  0.23  0.39  0.96  1.0
  Re  Re5  1  0.23  0.92  0.96  1.0
  Re  Re6  1  0.0  0.0  0.04  1.0
  Re  Re7  1  0.0  0.9  0.4  1.0
  Re  Re8  1  0.0  0.41  0.4  1.0
  Re  Re9  1  0.44  0.23  0.11  1.0
  Re  Re10  1  0.44  0.07  0.11  1.0
  Re  Re11  1  0.55  0.15  0.58  1.0
  Re  Re12  1  0.24  0.0  0.48  1.0
  Re  Re13  1  0.35  0.39  0.96  1.0
  Re  Re14  1  0.35  0.92  0.96  1.0
  Re  Re15  1  0.79  0.15  0.03  1.0
  Re  Re16  1  0.79  0.75  0.66  1.0
  Re  Re17  1  0.79  0.56  0.66  1.0

data_TlRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.58
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe3
_chemical_formula_sum   'Tl6 Re18'
_cell_volume   404.13
_cell_formula_units_Z   6
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  0.2  0.0  0.15  1.0
  Tl  Tl1  1  0.42  0.79  0.58  1.0
  Tl  Tl2  1  0.42  0.79  0.72  1.0
  Tl  Tl3  1  0.65  0.0  0.43  1.0
  Tl  Tl4  1  0.65  0.0  0.87  1.0
  Tl  Tl5  1  0.87  0.79  0.0  1.0
  Re  Re6  1  0.03  0.79  0.15  1.0
  Re  Re7  1  0.04  0.0  0.0  1.0
  Re  Re8  1  0.11  0.14  0.07  1.0
  Re  Re9  1  0.11  0.14  0.23  1.0
  Re  Re10  1  0.11  0.44  0.07  1.0
  Re  Re11  1  0.11  0.44  0.23  1.0
  Re  Re12  1  0.4  0.0  0.41  1.0
  Re  Re13  1  0.4  0.0  0.9  1.0
  Re  Re14  1  0.48  0.24  0.0  1.0
  Re  Re15  1  0.48  0.34  0.0  1.0
  Re  Re16  1  0.58  0.03  0.15  1.0
  Re  Re17  1  0.58  0.55  0.15  1.0
  Re  Re18  1  0.66  0.79  0.56  1.0
  Re  Re19  1  0.66  0.79  0.75  1.0
  Re  Re20  1  0.96  0.23  0.39  1.0
  Re  Re21  1  0.96  0.23  0.92  1.0
  Re  Re22  1  0.96  0.35  0.39  1.0
  Re  Re23  1  0.96  0.35  0.92  1.0

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