data_YHfSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   146.4
_cell_angle_beta   146.4
_cell_angle_gamma   48.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfSe
_chemical_formula_sum   'Y1 Hf1 Se1'
_cell_volume   70.65
_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
  Y  Y2  1  0.0  0.0  0.8  1.0
  Hf  Hf0  1  0.0  0.0  0.31  1.0
  Se  Se1  1  0.0  0.0  0.1  1.0

data_YHfSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHfSe
_chemical_formula_sum   'Y2 Hf2 Se2'
_cell_volume   141.3
_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
  Y  Y0  2  0.3  0.5  0.8  1.0
  Hf  Hf1  2  0.31  0.0  0.31  1.0
  Se  Se2  2  0.1  0.0  0.1  1.0

Y Hf Se
Y Hf Se 0 2 o o + 1 2 o o o 
YHfSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YHfSe clusters. Y(1) is bonded in a single-bond geometry to one Se(1) atom. The Y(1)-Se(1) bond length is 1.87 Å. Hf(1) is bonded in a single-bond geometry to one Se(1) atom. The Hf(1)-Se(1) bond length is 1.28 Å. Se(1) is bonded in a linear geometry to one Y(1) and one Hf(1) atom.