data_Sr2HfMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   4.36
_cell_angle_alpha   101.47
_cell_angle_beta   101.47
_cell_angle_gamma   21.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfMo
_chemical_formula_sum   'Sr2 Hf1 Mo1'
_cell_volume   130.3
_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  0.37  0.0  0.61  1.0
  Sr  Sr3  1  0.77  0.0  0.65  1.0
  Hf  Hf0  1  0.57  0.0  0.13  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   3.39
_cell_length_b   4.36
_cell_length_c   9.17
_cell_angle_alpha   101.47
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfMo
_chemical_formula_sum   'Sr2 Hf1 Mo1'
_cell_volume   130.3
_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  0.61  0.37  1.0
  Sr  Sr1  1  0.0  0.65  0.77  1.0
  Hf  Hf2  1  0.0  0.13  0.57  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Sr Sr Hf Mo
Sr Sr Hf Mo 0 2 o o o 0 2 o o + 1 2 o o o 1 2 o o + 1 3 + o + 
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 6-coordinate geometry to two equivalent Sr(1), two equivalent Hf(1), and two equivalent Mo(1) atoms. Both Sr(1)-Sr(1) bond lengths are 3.39 Å. There is one shorter (2.61 Å) and one longer (3.03 Å) Sr(1)-Hf(1) bond length. There is one shorter (3.87 Å) and one longer (4.07 Å) Sr(1)-Mo(1) bond length. In the second Sr site, Sr(2) is bonded in a 1-coordinate geometry to two equivalent Hf(1) and one Mo(1) atom. There is one shorter (2.61 Å) and one longer (3.03 Å) Sr(2)-Hf(1) bond length. The Sr(2)-Mo(1) bond length is 2.36 Å. Hf(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Sr(2) atoms. Mo(1) is bonded in a distorted single-bond geometry to one Sr(2) and two equivalent Sr(1) atoms.