data_InRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.37
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRe
_chemical_formula_sum   'In2 Re2'
_cell_volume   75.14
_cell_formula_units_Z   2
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
  In  In0  1  0.58  0.09  0.88  1.0
  In  In1  1  0.04  0.27  0.56  1.0
  Re  Re2  1  0.62  0.09  0.83  1.0
  Re  Re3  1  1.0  0.27  0.61  1.0

data_InRe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.16
_cell_length_b   4.37
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InRe
_chemical_formula_sum   'In2 Re2'
_cell_volume   75.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  In  In0  2  0.27  0.91  0.66  1.0
  Re  Re1  2  0.31  0.91  0.61  1.0

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