data_Hf2ZrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   5.2
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrIn
_chemical_formula_sum   'Hf2 Zr1 In1'
_cell_volume   89.24
_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  0.6  0.62  1.0
  Hf  Hf1  1  0.64  0.6  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.64  0.0  0.62  1.0

data_Hf2ZrIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.2
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrIn
_chemical_formula_sum   'Hf2 Zr1 In1'
_cell_volume   89.24
_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  0.6  0.62  1.0
  Hf  Hf1  1  0.64  0.6  -0.0  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.64  0.0  0.62  1.0

Hf Hf Zr In
Hf2ZrIn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2ZrIn cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 1-coordinate geometry to one Hf(2) and one In(1) atom. The Hf(1)-Hf(2) bond length is 2.33 Å. The Hf(1)-In(1) bond length is 2.39 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Zr(1) atom. The Hf(2)-Zr(1) bond length is 2.39 Å. Zr(1) is bonded in a 1-coordinate geometry to one Hf(2) and one In(1) atom. The Zr(1)-In(1) bond length is 2.33 Å. In(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Zr(1) atom.