data_LaIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27
_cell_length_b   10.27
_cell_length_c   10.27
_cell_angle_alpha   16.78
_cell_angle_beta   16.78
_cell_angle_gamma   16.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrAu2
_chemical_formula_sum   'La1 Ir1 Au2'
_cell_volume   78.68
_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
  La  La3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.18  1.0
  Au  Au0  1  0.0  0.0  0.33  1.0
  Au  Au1  1  0.0  0.0  0.02  1.0

data_LaIrAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   3.0
_cell_length_c   10.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaIrAu2
_chemical_formula_sum   'La2 Ir2 Au4'
_cell_volume   157.36
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.82  1.0
  Au  Au2  2  0.0  0.0  0.67  1.0
  Au  Au3  2  0.0  0.0  0.98  1.0

La Ir Au Au
La Ir Au Au 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 
LaIrAu2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaIrAu2 clusters. La(1) is bonded in a single-bond geometry to one Au(2) atom. The La(1)-Au(2) bond length is 0.23 Å. Ir(1) is bonded in a linear geometry to one Au(1) and one Au(2) atom. The Ir(1)-Au(1) bond length is 1.59 Å. The Ir(1)-Au(2) bond length is 1.59 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Au site, Au(2) is bonded in a single-bond geometry to one La(1) and one Ir(1) atom.