data_In2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   4.54
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2ReSi
_chemical_formula_sum   'In2 Re1 Si1'
_cell_volume   72.88
_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  0.0  0.27  0.33  1.0
  In  In1  1  0.72  0.0  0.33  1.0
  Re  Re2  1  0.72  0.27  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_In2ReSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.54
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2ReSi
_chemical_formula_sum   'In2 Re1 Si1'
_cell_volume   72.88
_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  0.0  0.27  0.33  1.0
  In  In1  1  0.72  0.0  0.33  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.72  0.27  0.0  1.0

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