data_SrHfIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfIn2
_chemical_formula_sum   'Sr1 Hf1 In2'
_cell_volume   103.37
_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
  Hf  Hf0  1  0.54  0.0  0.0  1.0
  In  In1  1  0.77  0.75  0.63  1.0
  In  In2  1  0.77  0.25  0.63  1.0

data_SrHfIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   103.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfIn2
_chemical_formula_sum   'Sr1 Hf1 In2'
_cell_volume   103.37
_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  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.54  0.0  1.0
  In  In2  1  0.63  0.77  0.25  1.0
  In  In3  1  0.63  0.77  0.75  1.0

Sr Hf In In
SrHfIn2 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent Hf(1), two equivalent In(1), and two equivalent In(2) atoms. There is one shorter (2.65 Å) and one longer (3.07 Å) Sr(1)-Hf(1) bond length. There is one shorter (2.09 Å) and one longer (2.65 Å) Sr(1)-In(1) bond length. There is one shorter (2.48 Å) and one longer (2.96 Å) Sr(1)-In(2) bond length. Hf(1) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and two equivalent In(2) atoms. There is one shorter (2.09 Å) and one longer (2.65 Å) Hf(1)-In(2) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one In(2) atom. The In(1)-In(2) bond length is 2.88 Å. In the second In site, In(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Hf(1), and one In(1) atom.