data_Tl2InRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   10.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InRe
_chemical_formula_sum   'Tl2 In1 Re1'
_cell_volume   93.83
_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  Tl2  1  0.0  0.0  0.41  1.0
  Tl  Tl3  1  0.7  0.0  0.09  1.0
  In  In0  1  0.0  0.0  0.08  1.0
  Re  Re1  1  0.7  0.0  0.84  1.0

data_Tl2InRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   10.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InRe
_chemical_formula_sum   'Tl2 In1 Re1'
_cell_volume   93.83
_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  0.0  0.41  1.0
  Tl  Tl1  1  0.7  0.0  0.09  1.0
  In  In2  1  0.0  0.0  0.08  1.0
  Re  Re3  1  0.7  0.0  0.84  1.0

Tl Tl In Re
Tl Tl In Re 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 0 2 o o o 1 2 + o o 1 3 o o - 2 3 o o - 2 3 - o - 3 3 + + o 3 3 o + o 3 3 + o o 