data_HfIn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Se
_chemical_formula_sum   'Hf1 In2 Se1'
_cell_volume   92.58
_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  0.26  0.26  0.0  1.0
  In  In1  1  0.26  0.0  0.26  1.0
  In  In2  1  0.0  0.26  0.26  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_HfIn2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfIn2Se
_chemical_formula_sum   'Hf2 In4 Se2'
_cell_volume   185.16
_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
  Hf  Hf0  2  0.26  0.0  0.0  1.0
  In  In1  4  0.13  0.13  0.26  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Hf In In Se
Hf In In Se 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
HfIn2Se is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfIn2Se clusters. Hf(1) is bonded in a 3-coordinate geometry to two equivalent In(1) and one Se(1) atom. Both Hf(1)-In(1) bond lengths are 1.67 Å. The Hf(1)-Se(1) bond length is 1.70 Å. In(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Se(1) atom. The In(1)-Se(1) bond length is 1.67 Å. Se(1) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent In(1) atoms.