data_SrHf2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.44
_cell_angle_alpha   115.03
_cell_angle_beta   115.03
_cell_angle_gamma   32.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2P
_chemical_formula_sum   'Sr1 Hf2 P1'
_cell_volume   96.44
_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  0.65  0.0  0.44  1.0
  Hf  Hf0  1  0.69  0.0  0.02  1.0
  Hf  Hf1  1  0.61  0.0  0.87  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_SrHf2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.44
_cell_length_c   6.09
_cell_angle_alpha   115.03
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2P
_chemical_formula_sum   'Sr1 Hf2 P1'
_cell_volume   96.44
_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  0.44  0.65  1.0
  Hf  Hf1  1  0.0  0.02  0.69  1.0
  Hf  Hf2  1  0.0  0.87  0.61  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Sr Hf Hf P
Sr Hf Hf P 0 2 o o o 0 1 o o o 0 3 + o + 1 2 o o - 1 3 + o o 2 3 + o + 
SrHf2P crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Hf(1), one Hf(2), and two equivalent P(1) atoms. Both Sr(1)-Sr(1) bond lengths are 3.38 Å. The Sr(1)-Hf(1) bond length is 2.42 Å. The Sr(1)-Hf(2) bond length is 2.42 Å. There is one shorter (2.89 Å) and one longer (3.65 Å) Sr(1)-P(1) bond length. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to one Sr(1), one Hf(2), and one P(1) atom. The Hf(1)-Hf(2) bond length is 0.75 Å. The Hf(1)-P(1) bond length is 1.95 Å. In the second Hf site, Hf(2) is bonded in a 3-coordinate geometry to one Sr(1), one Hf(1), and one P(1) atom. The Hf(2)-P(1) bond length is 2.16 Å. P(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1), one Hf(1), and one Hf(2) atom.