data_In2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeSi
_chemical_formula_sum   'In2 Fe1 Si1'
_cell_volume   76.75
_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  0.55  0.0  0.48  1.0
  In  In2  1  0.0  0.55  0.48  1.0
  Fe  Fe0  1  0.55  0.55  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_In2FeSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2FeSi
_chemical_formula_sum   'In4 Fe2 Si2'
_cell_volume   153.51
_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  4  0.27  0.27  0.48  1.0
  Fe  Fe1  2  0.05  0.5  0.0  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

In In Fe Si
FeIn2Si crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1) and eight equivalent In(1) atoms. Both Fe(1)-Fe(1) bond lengths are 2.95 Å. There are a spread of Fe(1)-In(1) bond distances ranging from 2.70-3.20 Å. In(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent In(1), and four equivalent Si(1) atoms. Both In(1)-In(1) bond lengths are 2.95 Å. There are a spread of In(1)-Si(1) bond distances ranging from 2.70-3.20 Å. Si(1) is bonded in a 4-coordinate geometry to eight equivalent In(1) atoms.