data_Sr2HfMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfMo
_chemical_formula_sum   'Sr2 Hf1 Mo1'
_cell_volume   106.43
_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  0.52  0.77  0.58  1.0
  Sr  Sr3  1  0.52  0.23  0.58  1.0
  Hf  Hf0  1  0.05  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Sr2HfMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.09
_cell_length_c   6.32
_cell_angle_alpha   118.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfMo
_chemical_formula_sum   'Sr2 Hf1 Mo1'
_cell_volume   106.43
_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  0.58  0.23  0.75  1.0
  Sr  Sr1  1  0.58  0.77  0.29  1.0
  Hf  Hf2  1  0.0  0.0  0.05  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Sr Sr Hf Mo
Sr2HfMo crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to two equivalent Sr(2) and two equivalent Mo(1) atoms. There is one shorter (2.89 Å) and one longer (3.43 Å) Sr(1)-Sr(2) bond length. There is one shorter (2.88 Å) and one longer (3.13 Å) Sr(1)-Mo(1) bond length. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Hf(1) atoms. Both Sr(2)-Sr(2) bond lengths are 3.15 Å. There is one shorter (2.88 Å) and one longer (3.13 Å) Sr(2)-Hf(1) bond length. Hf(1) is bonded in a single-bond geometry to two equivalent Sr(2) and one Mo(1) atom. The Hf(1)-Mo(1) bond length is 0.29 Å. Mo(1) is bonded in a single-bond geometry to two equivalent Sr(1) and one Hf(1) atom.