data_BaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAu
_chemical_formula_sum   'Ba2 Au2'
_cell_volume   149.91
_cell_formula_units_Z   2
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  0.35  0.0  0.76  1.0
  Ba  Ba3  1  0.0  0.35  0.02  1.0
  Au  Au0  1  0.35  0.0  0.19  1.0
  Au  Au1  1  0.0  0.35  0.6  1.0

data_BaAu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BaAu
_chemical_formula_sum   'Ba4 Au4'
_cell_volume   299.81
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Ba  Ba0  4  0.17  0.5  0.37  1.0
  Au  Au1  4  0.17  0.5  0.79  1.0

Ba Ba Au Au
Ba Ba Au Au 0 3 o o o 0 1 o o + 0 2 o o + 1 2 o o o 1 3 o o - 
BaAu crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 2-coordinate geometry to five equivalent Au(1) atoms. There are a spread of Ba(1)-Au(1) bond distances ranging from 2.58-3.91 Å. Au(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms.