data_BaMnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.49
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnAu2
_chemical_formula_sum   'Ba1 Mn1 Au2'
_cell_volume   88.27
_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
  Ba  Ba2  1  0.0  0.0  0.79  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.67  0.74  0.37  1.0
  Au  Au1  1  0.67  0.74  0.2  1.0

data_BaMnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.49
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnAu2
_chemical_formula_sum   'Ba1 Mn1 Au2'
_cell_volume   88.27
_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
  Ba  Ba0  1  0.0  0.0  0.79  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.67  0.74  0.2  1.0
  Au  Au3  1  0.67  0.74  0.37  1.0

Ba Mn Au Au
BaMnAu2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Au(1) atom. The Ba(1)-Mn(1) bond length is 1.60 Å. The Ba(1)-Au(1) bond length is 3.46 Å. Mn(1) is bonded in a 2-coordinate geometry to one Ba(1) and three equivalent Au(2) atoms. There are a spread of Mn(1)-Au(2) bond distances ranging from 2.10-3.22 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Au(2) atom. The Au(1)-Au(2) bond length is 1.27 Å. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to three equivalent Mn(1) and one Au(1) atom.