data_FeAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   149.44
_cell_angle_beta   131.88
_cell_angle_gamma   58.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsAu2
_chemical_formula_sum   'Fe1 As1 Au2'
_cell_volume   70.17
_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  Fe3  1  0.0  0.0  0.09  1.0
  As  As0  1  0.0  0.33  0.02  1.0
  Au  Au1  1  0.0  0.0  0.05  1.0
  Au  Au2  1  0.51  0.0  0.84  1.0

data_FeAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.66
_cell_length_c   5.72
_cell_angle_alpha   114.06
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsAu2
_chemical_formula_sum   'Fe1 As1 Au2'
_cell_volume   70.17
_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  0.91  0.91  0.91  1.0
  As  As1  1  0.98  0.31  0.31  1.0
  Au  Au2  1  0.67  0.16  0.67  1.0
  Au  Au3  1  0.95  0.95  0.95  1.0

Fe As Au Au
FeAu2As crystallizes in the triclinic P1 space group. Fe(1) is bonded in a single-bond geometry to one Au(1) and two equivalent Au(2) atoms. The Fe(1)-Au(1) bond length is 0.20 Å. There is one shorter (2.15 Å) and one longer (3.19 Å) Fe(1)-Au(2) bond length. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Fe(1) and one As(1) atom. The Au(1)-As(1) bond length is 2.06 Å. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent As(1) atoms. There is one shorter (2.78 Å) and one longer (2.81 Å) Au(2)-As(1) bond length. As(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms.