data_LiNbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbAu2
_chemical_formula_sum   'Li1 Nb1 Au2'
_cell_volume   69.73
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.5  0.5  0.0  1.0
  Au  Au0  1  0.5  0.0  0.39  1.0
  Au  Au1  1  0.0  0.5  0.39  1.0

data_LiNbAu2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   LiNbAu2
_chemical_formula_sum   'Li1 Nb1 Au2'
_cell_volume   69.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.5  0.5  -0.0  1.0
  Au  Au2  2  0.0  0.5  0.39  1.0

Li Nb Au Au
LiNbAu2 is beta Np-derived structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 8-coordinate geometry to eight equivalent Au(1) atoms. There are a spread of Li(1)-Au(1) bond distances ranging from 2.72-3.03 Å. Nb(1) is bonded in a 8-coordinate geometry to eight equivalent Au(1) atoms. There are a spread of Nb(1)-Au(1) bond distances ranging from 2.72-3.03 Å. Au(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), four equivalent Nb(1), and two equivalent Au(1) atoms. Both Au(1)-Au(1) bond lengths are 2.78 Å.