data_Hf2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InCu
_chemical_formula_sum   'Hf2 In1 Cu1'
_cell_volume   77.32
_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  Hf1  1  0.0  0.15  0.09  1.0
  Hf  Hf2  1  0.15  0.0  0.09  1.0
  In  In3  1  0.15  0.15  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Hf2InCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2InCu
_chemical_formula_sum   'Hf4 In2 Cu2'
_cell_volume   154.64
_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  4  0.07  0.07  0.09  1.0
  In  In1  2  0.15  0.0  0.0  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

Hf Hf In Cu
Hf Hf In Cu 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 
Hf2CuIn is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2CuIn clusters. Hf(1) is bonded in a 2-coordinate geometry to one Cu(1) and one In(1) atom. The Hf(1)-Cu(1) bond length is 0.75 Å. The Hf(1)-In(1) bond length is 0.75 Å. Cu(1) is bonded in a 2-coordinate geometry to two equivalent Hf(1) atoms. In(1) is bonded in a 2-coordinate geometry to two equivalent Hf(1) atoms.