data_Sr2HfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfCr
_chemical_formula_sum   'Sr2 Hf1 Cr1'
_cell_volume   126.81
_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  Sr2  1  0.9  0.0  0.88  1.0
  Sr  Sr3  1  0.0  0.9  0.88  1.0
  Hf  Hf1  1  0.9  0.9  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Sr2HfCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HfCr
_chemical_formula_sum   'Sr4 Hf2 Cr2'
_cell_volume   253.61
_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  4  0.45  0.45  0.88  1.0
  Hf  Hf1  2  0.4  0.5  0.0  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0

Sr Sr Hf Cr
Sr2HfCr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sr2HfCr clusters. Sr(1) is bonded in a 3-coordinate geometry to one Sr(1), one Hf(1), and one Cr(1) atom. The Sr(1)-Sr(1) bond length is 0.80 Å. The Sr(1)-Hf(1) bond length is 0.72 Å. The Sr(1)-Cr(1) bond length is 0.72 Å. Hf(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Cr(1) atom. The Hf(1)-Cr(1) bond length is 0.80 Å. Cr(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Hf(1) atom.