data_MoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu2
_chemical_formula_sum   'Mo1 Au2'
_cell_volume   63.87
_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
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.43  0.35  1.0
  Au  Au1  1  0.43  0.0  0.35  1.0

data_MoAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoAu2
_chemical_formula_sum   'Mo2 Au4'
_cell_volume   127.74
_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
  Mo  Mo0  2  0.0  0.0  0.0  1.0
  Au  Au1  4  0.21  0.21  0.35  1.0

Mo Au Au
Mo Au Au 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o - o 0 1 o o - 0 1 o o o 0 0 o o + 1 2 o o o 1 1 o o + 2 2 o o + 
MoAu2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoAu2 clusters. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Au(1) atoms. Both Mo(1)-Au(1) bond lengths are 2.29 Å. Au(1) is bonded in a 1-coordinate geometry to one Mo(1) atom.