data_HfIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   134.02
_cell_angle_beta   134.02
_cell_angle_gamma   67.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr2W
_chemical_formula_sum   'Hf1 Ir2 W1'
_cell_volume   65.16
_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  0.0  1.0
  Ir  Ir1  1  0.97  0.0  0.1  1.0
  Ir  Ir2  1  0.0  0.0  0.2  1.0
  W  W3  1  0.0  0.97  0.1  1.0

data_HfIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   5.04
_cell_angle_alpha   112.99
_cell_angle_beta   112.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr2W
_chemical_formula_sum   'Hf1 Ir2 W1'
_cell_volume   65.16
_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  0.0  1.0
  Ir  Ir1  1  0.1  0.13  0.13  1.0
  Ir  Ir2  1  0.2  0.2  0.2  1.0
  W  W3  1  0.13  0.1  0.13  1.0

Hf Ir Ir W
Hf Ir Ir W 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 
HfWIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfWIr2 cluster. Hf(1) is bonded in a 2-coordinate geometry to one W(1) and one Ir(1) atom. The Hf(1)-W(1) bond length is 0.63 Å. The Hf(1)-Ir(1) bond length is 0.63 Å. W(1) is bonded in a single-bond geometry to one Hf(1), one Ir(1), and one Ir(2) atom. The W(1)-Ir(1) bond length is 0.17 Å. The W(1)-Ir(2) bond length is 0.42 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Hf(1), one W(1), and one Ir(2) atom. The Ir(1)-Ir(2) bond length is 0.42 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one W(1) and one Ir(1) atom.