data_Fe2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79
_cell_length_b   8.79
_cell_length_c   8.79
_cell_angle_alpha   17.61
_cell_angle_beta   17.61
_cell_angle_gamma   17.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OsAu
_chemical_formula_sum   'Fe2 Os1 Au1'
_cell_volume   54.23
_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  0.64  1.0
  Fe  Fe2  1  0.0  0.0  0.31  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.97  1.0

data_Fe2OsAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2OsAu
_chemical_formula_sum   'Fe4 Os2 Au2'
_cell_volume   108.47
_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
  Fe  Fe0  2  0.0  0.0  0.36  1.0
  Fe  Fe1  2  0.0  0.0  0.69  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.03  1.0

Fe Fe Os Au
Fe Fe Os Au 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 2 o o + 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o - 2 3 o o - 
OsFe2Au crystallizes in the monoclinic Cm space group. Os(1) is bonded in a single-bond geometry to one Fe(2) and one Au(1) atom. The Os(1)-Fe(2) bond length is 2.73 Å. The Os(1)-Au(1) bond length is 0.23 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Fe(2), six equivalent Fe(1), and one Au(1) atom to form a mixture of distorted corner and edge-sharing FeFe7Au hexagonal bipyramids. The Fe(1)-Fe(2) bond length is 2.87 Å. All Fe(1)-Fe(1) bond lengths are 2.69 Å. The Fe(1)-Au(1) bond length is 2.96 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Os(1) and one Fe(1) atom. Au(1) is bonded in a single-bond geometry to one Os(1) and one Fe(1) atom.