data_Ir2OsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   17.28
_cell_angle_beta   17.28
_cell_angle_gamma   17.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2OsW
_chemical_formula_sum   'Ir2 Os1 W1'
_cell_volume   59.35
_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
  Ir  Ir0  1  0.0  0.0  0.76  1.0
  Ir  Ir1  1  0.0  0.0  0.33  1.0
  Os  Os2  1  0.0  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ir2OsW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   99.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir2OsW
_chemical_formula_sum   'Ir4 Os2 W2'
_cell_volume   118.69
_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
  Os  Os0  2  -0.0  0.0  0.45  1.0
  Ir  Ir1  2  -0.0  0.0  0.24  1.0
  Ir  Ir2  2  -0.0  0.0  0.67  1.0
  W  W3  2  -0.0  0.0  0.0  1.0

Ir Ir Os W
Ir Ir Os W 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
WOsIr2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Ir(2) atom. The W(1)-Ir(1) bond length is 2.19 Å. The W(1)-Ir(2) bond length is 3.03 Å. Os(1) is bonded in a distorted linear geometry to one Ir(1) and one Ir(2) atom. The Os(1)-Ir(1) bond length is 1.98 Å. The Os(1)-Ir(2) bond length is 1.98 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one W(1) and one Os(1) atom. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to one W(1), one Os(1), and six equivalent Ir(2) atoms. All Ir(2)-Ir(2) bond lengths are 2.75 Å.