data_SrHf2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Cr
_chemical_formula_sum   'Sr1 Hf2 Cr1'
_cell_volume   89.25
_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  0.13  0.0  0.0  1.0
  Hf  Hf1  1  0.57  0.25  0.59  1.0
  Hf  Hf2  1  0.57  0.75  0.59  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_SrHf2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   110.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Cr
_chemical_formula_sum   'Sr1 Hf2 Cr1'
_cell_volume   89.25
_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  0.13  0.0  1.0
  Hf  Hf1  1  0.59  0.57  0.25  1.0
  Hf  Hf2  1  0.59  0.57  0.75  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Sr Hf Hf Cr
Sr Hf Hf Cr 0 3 o o o 0 1 o o o 0 1 o o - 0 2 - - - 1 3 o o + 1 2 o o o 1 2 o - o 1 1 o o + 2 3 + + o 2 3 + + + 2 2 o o + 
SrHf2Cr crystallizes in the triclinic P1 space group. Sr(1) is bonded in a single-bond geometry to two equivalent Hf(1), two equivalent Hf(2), and one Cr(1) atom. There is one shorter (2.64 Å) and one longer (2.95 Å) Sr(1)-Hf(1) bond length. There is one shorter (3.38 Å) and one longer (3.63 Å) Sr(1)-Hf(2) bond length. The Sr(1)-Cr(1) bond length is 0.71 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Cr(1) atoms. Both Hf(1)-Hf(1) bond lengths are 3.17 Å. There is one shorter (2.70 Å) and one longer (2.78 Å) Hf(1)-Hf(2) bond length. There is one shorter (3.38 Å) and one longer (3.63 Å) Hf(1)-Cr(1) bond length. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Cr(1) atoms. Both Hf(2)-Hf(2) bond lengths are 3.17 Å. There is one shorter (2.64 Å) and one longer (2.95 Å) Hf(2)-Cr(1) bond length. Cr(1) is bonded in a single-bond geometry to one Sr(1), two equivalent Hf(1), and two equivalent Hf(2) atoms.