data_AsIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrW2
_chemical_formula_sum   'As1 Ir1 W2'
_cell_volume   60.81
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.49  1.0
  W  W2  1  0.48  0.48  0.34  1.0
  W  W3  1  0.48  0.48  0.63  1.0

data_AsIrW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsIrW2
_chemical_formula_sum   'As2 Ir2 W4'
_cell_volume   121.62
_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
  As  As0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.49  1.0
  W  W2  2  0.48  0.0  0.34  1.0
  W  W3  2  0.48  0.0  0.63  1.0

As Ir W W
As Ir W W 0 3 - - - 0 3 - o - 0 3 o - - 0 3 o o - 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 1 o o - 0 1 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 2 3 o o o 
W2IrAs crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to one W(2), four equivalent Ir(1), and four equivalent As(1) atoms. The W(1)-W(2) bond length is 2.03 Å. There are a spread of W(1)-Ir(1) bond distances ranging from 2.23-2.41 Å. There are a spread of W(1)-As(1) bond distances ranging from 3.11-3.25 Å. In the second W site, W(2) is bonded in a 5-coordinate geometry to one W(1), four equivalent Ir(1), and four equivalent As(1) atoms. There are a spread of W(2)-Ir(1) bond distances ranging from 2.23-2.41 Å. There are a spread of W(2)-As(1) bond distances ranging from 3.23-3.36 Å. Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(1) and four equivalent W(2) atoms. As(1) is bonded to four equivalent W(1), four equivalent W(2), and four equivalent As(1) atoms to form a mixture of corner and face-sharing AsAs4W8 cuboctahedra. All As(1)-As(1) bond lengths are 2.95 Å.