data_LiBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.82
_cell_angle_alpha   105.11
_cell_angle_beta   105.11
_cell_angle_gamma   44.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiAu2
_chemical_formula_sum   'Li1 Bi1 Au2'
_cell_volume   83.1
_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  Li3  1  0.68  0.0  0.88  1.0
  Bi  Bi2  1  0.09  0.0  0.36  1.0
  Au  Au0  1  0.37  0.0  0.08  1.0
  Au  Au1  1  0.35  0.0  0.62  1.0

data_LiBiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.82
_cell_length_c   5.08
_cell_angle_alpha   105.11
_cell_angle_beta   112.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiAu2
_chemical_formula_sum   'Li1 Bi1 Au2'
_cell_volume   83.1
_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  Li0  1  0.0  0.88  0.68  1.0
  Bi  Bi1  1  0.0  0.36  0.09  1.0
  Au  Au2  1  0.0  0.08  0.37  1.0
  Au  Au3  1  0.0  0.62  0.35  1.0

Li Bi Au Au