data_AgIrW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIrW4
_chemical_formula_sum   'Ag1 Ir1 W4'
_cell_volume   101.91
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.56  0.56  0.56  1.0
  W  W2  1  0.64  0.77  0.64  1.0
  W  W3  1  0.77  0.64  0.64  1.0
  W  W4  1  0.77  0.77  0.77  1.0
  W  W5  1  0.64  0.64  0.77  1.0

data_AgIrW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   12.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgIrW4
_chemical_formula_sum   'Ag3 Ir3 W12'
_cell_volume   305.72
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ag  Ag0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.44  1.0
  W  W2  9  0.04  0.08  0.31  1.0
  W  W3  3  0.0  0.0  0.23  1.0

Ag Ir W W W W
W4IrAg crystallizes in the trigonal R3m space group. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 4-coordinate geometry to three equivalent W(1) and one Ag(1) atom. All W(2)-W(1) bond lengths are 1.14 Å. The W(2)-Ag(1) bond length is 2.95 Å. In the second W site, W(1) is bonded in a 2-coordinate geometry to one W(2), two equivalent W(1), one Ir(1), and two equivalent Ag(1) atoms. Both W(1)-W(1) bond lengths are 0.66 Å. The W(1)-Ir(1) bond length is 1.65 Å. Both W(1)-Ag(1) bond lengths are 2.87 Å. Ir(1) is bonded in a 3-coordinate geometry to three equivalent W(1) atoms. Ag(1) is bonded in a 7-coordinate geometry to one W(2) and six equivalent W(1) atoms.