data_MoAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.5
_cell_length_b   8.5
_cell_length_c   8.5
_cell_angle_alpha   151.15
_cell_angle_beta   151.15
_cell_angle_gamma   41.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu3
_chemical_formula_sum   'Mo2 Au6'
_cell_volume   142.83
_cell_formula_units_Z   2
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
  Mo  Mo6  1  0.0  0.0  0.93  1.0
  Mo  Mo7  1  0.0  0.0  0.99  1.0
  Au  Au0  1  0.0  0.12  0.0  1.0
  Au  Au1  1  0.0  0.0  0.98  1.0
  Au  Au2  1  0.0  0.0  0.94  1.0
  Au  Au3  1  0.0  0.12  0.98  1.0
  Au  Au4  1  0.12  0.0  0.98  1.0
  Au  Au5  1  0.12  0.0  0.0  1.0

data_MoAu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   110.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoAu3
_chemical_formula_sum   'Mo4 Au12'
_cell_volume   285.65
_cell_formula_units_Z   4
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
  Mo  Mo0  2  0.43  0.5  0.93  1.0
  Mo  Mo1  2  0.49  0.5  0.99  1.0
  Au  Au2  4  0.42  0.44  0.86  1.0
  Au  Au3  4  0.44  0.44  0.88  1.0
  Au  Au4  2  0.44  0.5  0.94  1.0
  Au  Au5  2  0.48  0.5  0.98  1.0

Mo Mo Au Au Au Au Au Au
Mo Mo Au Au Au Au Au Au 0 4 o o o 1 3 o o o 2 5 o o - 6 7 o o + 
MoAu5Mo(Au) is Cubic alpha N2-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo(Au) clusters and two MoAu5 clusters. In each Mo(Au) cluster, Mo(2) is bonded in a single-bond geometry to one Au(2) atom. The Mo(2)-Au(2) bond length is 0.07 Å. Au(2) is bonded in a distorted single-bond geometry to one Mo(2) atom. In each MoAu5 cluster, Mo(1) is bonded in a distorted trigonal planar geometry to one Au(3) and two equivalent Au(1) atoms. The Mo(1)-Au(3) bond length is 0.07 Å. Both Mo(1)-Au(1) bond lengths are 0.56 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Au(4) atom. The Au(1)-Au(4) bond length is 0.17 Å. In the second Au site, Au(3) is bonded in a single-bond geometry to one Mo(1) atom. In the third Au site, Au(4) is bonded in a single-bond geometry to one Au(1) atom.