data_HfSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   146.94
_cell_angle_beta   126.68
_cell_angle_gamma   64.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnSe2
_chemical_formula_sum   'Hf1 Sn1 Se2'
_cell_volume   108.63
_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
  Hf  Hf0  1  0.0  0.0  0.34  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.8  0.0  0.43  1.0
  Se  Se2  1  0.0  0.83  0.91  1.0

data_HfSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.66
_cell_length_c   6.31
_cell_angle_alpha   116.66
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnSe2
_chemical_formula_sum   'Hf1 Sn1 Se2'
_cell_volume   108.63
_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
  Hf  Hf0  1  0.0  0.34  0.34  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.43  0.64  1.0
  Se  Se3  1  0.17  0.08  0.08  1.0

Hf Sn Se Se
HfSnSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfSnSe2 cluster. Hf(1) is bonded in a 2-coordinate geometry to one Se(1) and one Se(2) atom. The Hf(1)-Se(1) bond length is 1.67 Å. The Hf(1)-Se(2) bond length is 1.91 Å. Sn(1) is bonded in a single-bond geometry to one Se(2) atom. The Sn(1)-Se(2) bond length is 0.68 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to one Hf(1) and one Sn(1) atom.