data_Sr2HfAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfAs
_chemical_formula_sum   'Sr2 Hf1 As1'
_cell_volume   114.64
_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  0.45  0.0  0.39  1.0
  Sr  Sr3  1  0.0  0.45  0.39  1.0
  Hf  Hf1  1  0.45  0.45  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Sr2HfAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HfAs
_chemical_formula_sum   'Sr4 Hf2 As2'
_cell_volume   229.27
_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  0.22  0.22  0.39  1.0
  Hf  Hf1  2  0.45  0.0  0.0  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Sr Sr Hf As
Sr2HfAs crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 3-coordinate geometry to four equivalent Hf(1) and three equivalent As(1) atoms. There are a spread of Sr(1)-Hf(1) bond distances ranging from 2.88-3.97 Å. There are a spread of Sr(1)-As(1) bond distances ranging from 2.88-3.64 Å. Hf(1) is bonded in a 11-coordinate geometry to eight equivalent Sr(1) and three equivalent As(1) atoms. There is one shorter (3.10 Å) and two longer (3.48 Å) Hf(1)-As(1) bond lengths. As(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three equivalent Hf(1) atoms.