data_B2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.23
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   110.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoAu
_chemical_formula_sum   'B2 Mo1 Au1'
_cell_volume   45.02
_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
  B  B1  1  0.11  0.0  0.95  1.0
  B  B2  1  0.05  0.61  0.98  1.0
  Mo  Mo3  1  0.73  0.0  0.41  1.0
  Au  Au0  1  0.5  0.61  0.75  1.0

data_B2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.46
_cell_length_c   4.31
_cell_angle_alpha   110.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoAu
_chemical_formula_sum   'B2 Mo1 Au1'
_cell_volume   45.02
_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
  B  B0  1  0.0  0.89  0.05  1.0
  B  B1  1  0.39  0.95  0.02  1.0
  Mo  Mo2  1  0.0  0.27  0.59  1.0
  Au  Au3  1  0.39  0.5  0.25  1.0

B B Mo Au
B B Mo Au 0 1 o - o 0 2 o o + 0 2 - o + 0 2 - o o 0 3 o - o 0 3 - - o 1 2 o + + 1 2 - + + 1 2 - + o 1 3 o o o 1 3 - o o 2 3 o - o 2 3 o o o 2 3 + - o 
MoAuB2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 4-coordinate geometry to two equivalent Au(1) and two equivalent B(1) atoms. There is one shorter (2.27 Å) and one longer (2.74 Å) Mo(1)-Au(1) bond length. There is one shorter (2.21 Å) and one longer (2.38 Å) Mo(1)-B(1) bond length. Au(1) is bonded in a 1-coordinate geometry to two equivalent Mo(1) and two equivalent B(2) atoms. There is one shorter (1.82 Å) and one longer (2.09 Å) Au(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 1-coordinate geometry to two equivalent Mo(1) and two equivalent B(2) atoms. There is one shorter (1.28 Å) and one longer (1.99 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded in a 4-coordinate geometry to two equivalent Au(1) and two equivalent B(1) atoms.