data_Sr2HfTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   136.27
_cell_angle_beta   136.27
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfTe
_chemical_formula_sum   'Sr2 Hf1 Te1'
_cell_volume   125.04
_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  Sr1  1  0.0  0.39  0.73  1.0
  Sr  Sr2  1  0.39  0.0  0.73  1.0
  Hf  Hf0  1  0.0  0.0  0.46  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Sr2HfTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   121.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HfTe
_chemical_formula_sum   'Sr4 Hf2 Te2'
_cell_volume   250.08
_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  0.47  0.2  0.66  1.0
  Hf  Hf1  2  0.04  0.5  0.54  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0

Sr Sr Hf Te
Sr Sr Hf Te 0 2 o o o 0 3 o o o 0 3 o + + 1 2 o o o 1 3 + o + 1 3 o o o 2 3 o o + 2 3 o o o 
Sr2HfTe crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 2-coordinate geometry to one Hf(1) and three equivalent Te(1) atoms. The Sr(1)-Hf(1) bond length is 1.75 Å. There are a spread of Sr(1)-Te(1) bond distances ranging from 2.91-3.96 Å. Hf(1) is bonded in a distorted water-like geometry to two equivalent Sr(1) and two equivalent Te(1) atoms. There is one shorter (2.96 Å) and one longer (3.46 Å) Hf(1)-Te(1) bond length. Te(1) is bonded in a 8-coordinate geometry to six equivalent Sr(1) and two equivalent Hf(1) atoms.