data_InFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   131.74
_cell_angle_beta   131.74
_cell_angle_gamma   70.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeSn2
_chemical_formula_sum   'In1 Fe1 Sn2'
_cell_volume   90.24
_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  0.0  0.0  0.48  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.24  0.24  1.0
  Sn  Sn3  1  0.24  0.0  0.24  1.0

data_InFeSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   125.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InFeSn2
_chemical_formula_sum   'In2 Fe2 Sn4'
_cell_volume   180.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.48  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  4  0.38  0.38  1.0  1.0

In Fe Sn Sn
In Fe Sn Sn 0 2 o o o 0 3 o o o 0 1 o o o 0 1 o o + 1 2 o o o 1 3 o o o 
FeInSn2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in an L-shaped geometry to one In(1) and two equivalent Sn(1) atoms. The Fe(1)-In(1) bond length is 2.86 Å. Both Fe(1)-Sn(1) bond lengths are 1.09 Å. In(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sn(1) atoms. There are two shorter (2.42 Å) and two longer (3.42 Å) In(1)-Sn(1) bond lengths. Sn(1) is bonded in a single-bond geometry to one Fe(1) and two equivalent In(1) atoms.