data_Mn2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BAu
_chemical_formula_sum   'Mn2 B1 Au1'
_cell_volume   52.06
_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  0.27  0.8  0.43  1.0
  Mn  Mn3  1  0.27  0.2  0.43  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.53  0.0  0.0  1.0

data_Mn2BAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   109.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BAu
_chemical_formula_sum   'Mn2 B1 Au1'
_cell_volume   52.06
_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  0.43  0.27  0.2  1.0
  Mn  Mn1  1  0.43  0.27  0.8  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  -0.0  0.53  0.0  1.0

Mn Mn B Au
Mn2AuB crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to two equivalent Mn(2), two equivalent Au(1), and two equivalent B(1) atoms. There is one shorter (1.80 Å) and one longer (2.60 Å) Mn(1)-Mn(2) bond length. There is one shorter (1.73 Å) and one longer (2.03 Å) Mn(1)-Au(1) bond length. There is one shorter (2.10 Å) and one longer (2.36 Å) Mn(1)-B(1) bond length. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Au(1), and two equivalent B(1) atoms. There is one shorter (2.10 Å) and one longer (2.36 Å) Mn(2)-Au(1) bond length. There is one shorter (1.73 Å) and one longer (2.03 Å) Mn(2)-B(1) bond length. Au(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), and two equivalent B(1) atoms. There is one shorter (2.05 Å) and one longer (2.35 Å) Au(1)-B(1) bond length. B(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), and two equivalent Au(1) atoms.