data_LiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   103.8
_cell_angle_beta   103.8
_cell_angle_gamma   121.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAu2
_chemical_formula_sum   'Li2 Au4'
_cell_volume   95.56
_cell_formula_units_Z   2
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  Li4  1  0.0  0.0  0.23  1.0
  Li  Li5  1  0.0  0.0  0.7  1.0
  Au  Au0  1  0.99  0.12  0.46  1.0
  Au  Au1  1  0.12  0.99  0.0  1.0
  Au  Au2  1  0.99  0.11  0.0  1.0
  Au  Au3  1  0.12  0.01  0.46  1.0

data_LiAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   8.81
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   119.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiAu2
_chemical_formula_sum   'Li4 Au8'
_cell_volume   191.12
_cell_formula_units_Z   4
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  0.0  0.0  0.3  1.0
  Li  Li1  2  0.0  0.0  0.77  1.0
  Au  Au2  4  0.44  0.44  0.54  1.0
  Au  Au3  4  0.44  0.56  0.0  1.0

Li Li Au Au Au Au