data_FeMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.11
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   96.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo2Au
_chemical_formula_sum   'Fe1 Mo2 Au1'
_cell_volume   61.22
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.09  0.05  0.21  1.0
  Mo  Mo3  1  0.05  0.05  0.27  1.0
  Au  Au0  1  0.71  0.0  0.74  1.0

data_FeMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.11
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   96.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo2Au
_chemical_formula_sum   'Fe1 Mo2 Au1'
_cell_volume   61.22
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.05  0.05  0.27  1.0
  Mo  Mo2  1  0.09  0.05  0.21  1.0
  Au  Au3  1  0.71  0.0  0.74  1.0

Fe Mo Mo Au
Fe Mo Mo Au 0 1 o o o 0 3 - o - 1 2 o o o 
Mo2FeAu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2FeAu cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one Fe(1) atom. The Mo(1)-Mo(2) bond length is 0.37 Å. The Mo(1)-Fe(1) bond length is 1.18 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Mo(1) atom. Fe(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Au(1) atom. The Fe(1)-Au(1) bond length is 1.56 Å. Au(1) is bonded in a distorted single-bond geometry to one Fe(1) atom.