data_Tl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   148.77
_cell_angle_beta   133.12
_cell_angle_gamma   57.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl2 Re1'
_cell_volume   64.0
_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  Tl1  1  0.0  0.0  0.35  1.0
  Tl  Tl2  1  0.0  0.0  0.37  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0

data_Tl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.41
_cell_length_c   5.54
_cell_angle_alpha   113.44
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Re
_chemical_formula_sum   'Tl2 Re1'
_cell_volume   64.0
_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  Tl0  1  0.0  0.35  0.35  1.0
  Tl  Tl1  1  0.0  0.37  0.37  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0

Tl Tl Re
Tl Tl Re 0 1 o o o 0 2 o o o 1 2 o o o 