data_SrHfSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfSe2
_chemical_formula_sum   'Sr1 Hf1 Se2'
_cell_volume   97.75
_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  0.0  0.0  0.89  1.0
  Hf  Hf0  1  0.06  0.06  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.06  0.06  0.89  1.0

data_SrHfSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHfSe2
_chemical_formula_sum   'Sr2 Hf2 Se4'
_cell_volume   195.5
_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  2  0.0  0.0  0.89  1.0
  Hf  Hf1  2  0.06  0.0  -0.0  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0
  Se  Se3  2  0.06  0.0  0.89  1.0

Sr Hf Se Se
SrHfSe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrHfSe2 clusters. Sr(1) is bonded in an L-shaped geometry to one Se(1) and one Se(2) atom. The Sr(1)-Se(1) bond length is 0.65 Å. The Sr(1)-Se(2) bond length is 0.33 Å. Hf(1) is bonded in an L-shaped geometry to one Se(1) and one Se(2) atom. The Hf(1)-Se(1) bond length is 0.33 Å. The Hf(1)-Se(2) bond length is 0.65 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in an L-shaped geometry to one Sr(1) and one Hf(1) atom. In the second Se site, Se(2) is bonded in an L-shaped geometry to one Sr(1) and one Hf(1) atom.