data_TlRe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe5
_chemical_formula_sum   'Tl1 Re5'
_cell_volume   97.79
_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  Tl5  1  0.42  0.42  0.03  1.0
  Re  Re0  1  0.0  0.0  0.34  1.0
  Re  Re1  1  0.42  0.42  0.08  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.42  0.42  0.97  1.0
  Re  Re4  1  0.0  0.0  0.71  1.0

data_TlRe5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlRe5
_chemical_formula_sum   'Tl2 Re10'
_cell_volume   195.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.42  0.0  0.03  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.0  0.0  0.34  1.0
  Re  Re3  2  0.0  0.0  0.71  1.0
  Re  Re4  2  0.42  0.0  0.08  1.0
  Re  Re5  2  0.42  0.0  0.97  1.0

Tl Re Re Re Re Re