data_SrInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrInFe2
_chemical_formula_sum   'Sr1 In1 Fe2'
_cell_volume   86.36
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.39  1.0
  Fe  Fe0  1  0.79  0.79  0.28  1.0
  Fe  Fe1  1  0.79  0.79  0.5  1.0

data_SrInFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrInFe2
_chemical_formula_sum   'Sr2 In2 Fe4'
_cell_volume   172.71
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.39  1.0
  Fe  Fe2  2  0.29  0.5  0.28  1.0
  Fe  Fe3  2  0.29  0.5  0.5  1.0

Sr In Fe Fe
SrFe2In crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom. The Sr(1)-Fe(1) bond length is 2.17 Å. The Sr(1)-Fe(2) bond length is 3.57 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(2), and one In(1) atom. The Fe(1)-Fe(2) bond length is 1.49 Å. The Fe(1)-In(1) bond length is 1.32 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Sr(1), one Fe(1), and three equivalent In(1) atoms. There is one shorter (1.32 Å) and two longer (3.00 Å) Fe(2)-In(1) bond lengths. In(1) is bonded in a 2-coordinate geometry to one Fe(1) and three equivalent Fe(2) atoms.