data_ZnB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2Au
_chemical_formula_sum   'Zn1 B2 Au1'
_cell_volume   48.39
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.55  0.55  0.21  1.0
  B  B2  1  0.55  0.55  0.84  1.0
  Au  Au0  1  0.0  0.0  0.53  1.0

data_ZnB2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnB2Au
_chemical_formula_sum   'Zn2 B4 Au2'
_cell_volume   96.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  B  B1  2  0.05  0.5  0.21  1.0
  B  B2  2  0.05  0.5  0.84  1.0
  Au  Au3  2  0.0  0.0  0.53  1.0

Zn B B Au
Zn B B Au 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o - 0 3 o o o 1 2 o o - 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
AuZnB2 crystallizes in the monoclinic Cm space group. Au(1) is bonded in a 10-coordinate geometry to two equivalent Zn(1), four equivalent B(1), and four equivalent B(2) atoms. There is one shorter (2.40 Å) and one longer (2.66 Å) Au(1)-Zn(1) bond length. There are a spread of Au(1)-B(1) bond distances ranging from 2.54-2.87 Å. There are a spread of Au(1)-B(2) bond distances ranging from 2.54-2.87 Å. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Au(1), four equivalent B(1), and four equivalent B(2) atoms. There are a spread of Zn(1)-B(1) bond distances ranging from 2.25-2.62 Å. There are a spread of Zn(1)-B(2) bond distances ranging from 2.14-2.53 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Au(1), four equivalent Zn(1), and one B(2) atom. The B(1)-B(2) bond length is 1.88 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Au(1), four equivalent Zn(1), and one B(1) atom.