data_In2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   4.74
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeSn
_chemical_formula_sum   'In2 Fe1 Sn1'
_cell_volume   90.08
_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  In1  1  0.95  0.37  0.22  1.0
  In  In2  1  0.29  0.37  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.36  0.0  0.7  1.0

data_In2FeSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.74
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeSn
_chemical_formula_sum   'In2 Fe1 Sn1'
_cell_volume   90.08
_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  0.29  0.37  0.17  1.0
  In  In1  1  0.95  0.37  0.22  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.36  0.0  0.7  1.0

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