data_LiSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   20.97
_cell_angle_beta   20.97
_cell_angle_gamma   20.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Au
_chemical_formula_sum   'Li1 Sn2 Au1'
_cell_volume   90.66
_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  0.59  1.0
  Sn  Sn2  1  0.0  0.0  0.15  1.0
  Sn  Sn3  1  0.0  0.0  0.74  1.0
  Au  Au0  1  0.0  0.0  0.83  1.0

data_LiSn2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   102.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSn2Au
_chemical_formula_sum   'Li2 Sn4 Au2'
_cell_volume   181.33
_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  -0.0  0.0  0.41  1.0
  Sn  Sn1  2  -0.0  0.0  0.85  1.0
  Sn  Sn2  2  0.0  0.0  0.26  1.0
  Au  Au3  2  0.0  0.0  0.17  1.0

Li Sn Sn Au
Li Sn Sn Au 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 1 2 o o - 2 3 o o o 