data_MnAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAu3
_chemical_formula_sum   'Mn1 Au3'
_cell_volume   69.55
_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
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.65  0.65  0.49  1.0
  Au  Au1  1  0.65  0.65  0.91  1.0
  Au  Au2  1  0.0  0.0  0.2  1.0

data_MnAu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAu3
_chemical_formula_sum   'Mn2 Au6'
_cell_volume   139.1
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Au  Au1  2  0.0  0.0  0.2  1.0
  Au  Au2  2  0.15  0.5  0.49  1.0
  Au  Au3  2  0.15  0.5  0.91  1.0

Mn Au Au Au
Au3Mn crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 2-coordinate geometry to one Au(2) and one Au(3) atom. The Mn(1)-Au(2) bond length is 1.74 Å. The Mn(1)-Au(3) bond length is 1.28 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Au(2), three equivalent Au(3), and four equivalent Au(1) atoms. The Au(1)-Au(2) bond length is 2.70 Å. There is one shorter (2.47 Å) and two longer (3.06 Å) Au(1)-Au(3) bond lengths. All Au(1)-Au(1) bond lengths are 3.30 Å. In the second Au site, Au(2) is bonded in a 1-coordinate geometry to one Mn(1) and one Au(1) atom. In the third Au site, Au(3) is bonded in a single-bond geometry to one Mn(1) and three equivalent Au(1) atoms.