data_MoAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   6.94
_cell_angle_alpha   105.32
_cell_angle_beta   105.32
_cell_angle_gamma   28.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu5
_chemical_formula_sum   'Mo1 Au5'
_cell_volume   106.41
_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  Mo5  1  0.34  0.0  0.34  1.0
  Au  Au0  1  0.19  0.0  0.64  1.0
  Au  Au1  1  0.84  0.0  0.81  1.0
  Au  Au2  1  0.89  0.0  0.2  1.0
  Au  Au3  1  0.48  0.0  0.09  1.0
  Au  Au4  1  0.41  0.0  0.51  1.0

data_MoAu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.8
_cell_length_c   6.94
_cell_angle_alpha   105.32
_cell_angle_beta   90.0
_cell_angle_gamma   104.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAu5
_chemical_formula_sum   'Mo1 Au5'
_cell_volume   106.41
_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  Mo0  1  0.0  0.66  0.66  1.0
  Au  Au1  1  0.0  0.11  0.8  1.0
  Au  Au2  1  0.0  0.16  0.19  1.0
  Au  Au3  1  0.0  0.52  0.91  1.0
  Au  Au4  1  0.0  0.59  0.49  1.0
  Au  Au5  1  0.0  0.81  0.36  1.0

Mo Au Au Au Au Au
Mo Au Au Au Au Au 0 5 o o o 0 3 - o o 0 4 o o o 1 5 o o o 1 2 - o o 2 5 o o o 2 2 + - o 2 3 o o + 3 4 o o o 3 3 + - o 
MoAu5 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 1-coordinate geometry to one Au(3), one Au(4), and one Au(5) atom. The Mo(1)-Au(3) bond length is 2.54 Å. The Mo(1)-Au(4) bond length is 2.04 Å. The Mo(1)-Au(5) bond length is 1.18 Å. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Au(2) and one Au(5) atom. The Au(1)-Au(2) bond length is 2.57 Å. The Au(1)-Au(5) bond length is 1.74 Å. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to one Au(1), one Au(3), one Au(5), and two equivalent Au(2) atoms. The Au(2)-Au(3) bond length is 2.66 Å. The Au(2)-Au(5) bond length is 2.79 Å. Both Au(2)-Au(2) bond lengths are 2.83 Å. In the third Au site, Au(3) is bonded in a 1-coordinate geometry to one Mo(1) and one Au(2) atom. In the fourth Au site, Au(4) is bonded in a distorted single-bond geometry to one Mo(1) atom. In the fifth Au site, Au(5) is bonded in a distorted single-bond geometry to one Mo(1), one Au(1), and one Au(2) atom.