data_Ir2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2W
_chemical_formula_sum   'Ir8 W4'
_cell_volume   188.63
_cell_formula_units_Z   4
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
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.15  1.0
  Ir  Ir2  1  0.0  0.51  0.22  1.0
  Ir  Ir3  1  0.75  0.68  0.22  1.0
  Ir  Ir4  1  0.31  0.76  0.07  1.0
  Ir  Ir5  1  0.25  0.68  0.22  1.0
  Ir  Ir6  1  0.81  0.76  0.07  1.0
  Ir  Ir7  1  0.56  0.93  0.07  1.0
  W  W8  1  0.0  0.96  0.72  1.0
  W  W9  1  0.0  0.96  0.43  1.0
  W  W10  1  0.56  0.48  0.87  1.0
  W  W11  1  0.56  0.48  0.58  1.0

data_Ir2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2W
_chemical_formula_sum   'Ir8 W4'
_cell_volume   188.63
_cell_formula_units_Z   4
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
  Ir  Ir0  1  -0.0  0.51  0.22  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.15  1.0
  Ir  Ir3  1  0.25  0.68  0.22  1.0
  Ir  Ir4  1  0.31  0.76  0.07  1.0
  Ir  Ir5  1  0.56  0.93  0.07  1.0
  Ir  Ir6  1  0.75  0.68  0.22  1.0
  Ir  Ir7  1  0.81  0.76  0.07  1.0
  W  W8  1  -0.0  0.96  0.43  1.0
  W  W9  1  -0.0  0.96  0.72  1.0
  W  W10  1  0.56  0.48  0.58  1.0
  W  W11  1  0.56  0.48  0.87  1.0

Ir Ir Ir Ir Ir Ir Ir Ir W W W W
WIr2 crystallizes in the triclinic P1 space group. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to two equivalent W(4) and one Ir(1) atom. There is one shorter (2.62 Å) and one longer (3.00 Å) W(1)-W(4) bond length. The W(1)-Ir(1) bond length is 2.35 Å. In the second W site, W(2) is bonded in a 2-coordinate geometry to two equivalent W(4), one Ir(2), and one Ir(4) atom. There is one shorter (2.66 Å) and one longer (3.04 Å) W(2)-W(4) bond length. The W(2)-Ir(2) bond length is 2.35 Å. The W(2)-Ir(4) bond length is 2.20 Å. In the third W site, W(3) is bonded in a 1-coordinate geometry to one W(4) and one Ir(7) atom. The W(3)-W(4) bond length is 2.37 Å. The W(3)-Ir(7) bond length is 2.20 Å. In the fourth W site, W(4) is bonded in a 6-coordinate geometry to one W(3), two equivalent W(1), two equivalent W(2), and one Ir(4) atom. The W(4)-Ir(4) bond length is 3.12 Å. There are eight inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to one W(1), one Ir(2), and one Ir(7) atom. The Ir(1)-Ir(2) bond length is 1.23 Å. The Ir(1)-Ir(7) bond length is 1.29 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one W(2), one Ir(1), one Ir(4), and one Ir(7) atom. The Ir(2)-Ir(4) bond length is 1.62 Å. The Ir(2)-Ir(7) bond length is 1.29 Å. In the third Ir site, Ir(3) is bonded in a distorted single-bond geometry to one Ir(4) and one Ir(6) atom. The Ir(3)-Ir(4) bond length is 1.88 Å. The Ir(3)-Ir(6) bond length is 1.14 Å. In the fourth Ir site, Ir(4) is bonded in a 4-coordinate geometry to one W(2), one W(4), one Ir(2), one Ir(3), and one Ir(7) atom. The Ir(4)-Ir(7) bond length is 1.29 Å. In the fifth Ir site, Ir(5) is bonded in a water-like geometry to one Ir(6) and one Ir(8) atom. The Ir(5)-Ir(6) bond length is 1.28 Å. The Ir(5)-Ir(8) bond length is 1.14 Å. In the sixth Ir site, Ir(6) is bonded in a water-like geometry to one Ir(3) and one Ir(5) atom. In the seventh Ir site, Ir(7) is bonded in a 5-coordinate geometry to one W(3), one Ir(1), one Ir(2), one Ir(4), and one Ir(8) atom. The Ir(7)-Ir(8) bond length is 1.88 Å. In the eighth Ir site, Ir(8) is bonded in a distorted single-bond geometry to one Ir(5) and one Ir(7) atom.