data_InFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.04
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   112.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeSn2
_chemical_formula_sum   'In1 Fe1 Sn2'
_cell_volume   98.57
_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  0.57  0.02  0.61  1.0
  Fe  Fe0  1  0.31  0.0  0.97  1.0
  Sn  Sn2  1  0.99  0.0  0.04  1.0
  Sn  Sn3  1  0.18  0.02  0.48  1.0

data_InFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.83
_cell_length_c   5.47
_cell_angle_alpha   112.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeSn2
_chemical_formula_sum   'In1 Fe1 Sn2'
_cell_volume   98.57
_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  0.98  0.43  0.39  1.0
  Fe  Fe1  1  0.0  0.69  0.03  1.0
  Sn  Sn2  1  0.0  0.01  0.96  1.0
  Sn  Sn3  1  0.98  0.82  0.52  1.0

In Fe Sn Sn