data_LiNbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   155.11
_cell_angle_beta   155.11
_cell_angle_gamma   35.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbAu
_chemical_formula_sum   'Li1 Nb1 Au1'
_cell_volume   49.57
_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  Li1  1  0.0  0.0  0.32  1.0
  Nb  Nb2  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.0  0.0  0.34  1.0

data_LiNbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNbAu
_chemical_formula_sum   'Li2 Nb2 Au2'
_cell_volume   99.14
_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
  Li  Li0  2  0.32  0.0  0.32  1.0
  Nb  Nb1  2  0.27  0.0  0.27  1.0
  Au  Au2  2  0.34  0.0  0.34  1.0

Li Nb Au