data_In2ReSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   4.82
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2ReSn
_chemical_formula_sum   'In2 Re1 Sn1'
_cell_volume   82.94
_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
  In  In0  1  0.72  0.41  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.41  0.51  1.0
  Sn  Sn3  1  0.72  0.0  0.51  1.0

data_In2ReSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   5.01
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   In2ReSn
_chemical_formula_sum   'In2 Re1 Sn1'
_cell_volume   82.94
_cell_formula_units_Z   1
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  1  0.0  0.5  0.0  1.0
  In  In1  1  0.72  0.5  0.41  1.0
  Re  Re2  1  0.0  0.0  0.41  1.0
  Sn  Sn3  1  0.72  0.0  0.0  1.0

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