data_MnBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiAu
_chemical_formula_sum   'Mn1 Bi1 Au1'
_cell_volume   65.68
_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
  Mn  Mn2  1  0.0  0.0  0.76  1.0
  Bi  Bi1  1  0.25  0.3  0.28  1.0
  Au  Au0  1  1.0  0.6  0.46  1.0

data_MnBiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiAu
_chemical_formula_sum   'Mn1 Bi1 Au1'
_cell_volume   65.68
_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
  Mn  Mn0  1  0.76  0.0  0.0  1.0
  Bi  Bi1  1  0.28  0.25  0.3  1.0
  Au  Au2  1  0.46  1.0  0.6  1.0

Mn Bi Au
Mn Bi Au 0 2 - - o 0 1 o o o 0 1 o o + 1 2 - o o 
MnAuBi is Brookite-derived structured and crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Bi(1) atoms. The Mn(1)-Au(1) bond length is 2.14 Å. There is one shorter (2.20 Å) and one longer (2.30 Å) Mn(1)-Bi(1) bond length. Au(1) is bonded in a 2-coordinate geometry to one Mn(1) and three equivalent Bi(1) atoms. There are a spread of Au(1)-Bi(1) bond distances ranging from 2.24-3.03 Å. Bi(1) is bonded in a 5-coordinate geometry to two equivalent Mn(1) and three equivalent Au(1) atoms.