data_LiSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.23
_cell_angle_alpha   99.18
_cell_angle_beta   99.18
_cell_angle_gamma   39.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Au
_chemical_formula_sum   'Li1 Sn2 Au1'
_cell_volume   86.66
_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  0.08  0.0  0.35  1.0
  Sn  Sn2  1  1.0  0.0  0.18  1.0
  Sn  Sn3  1  0.69  0.0  0.72  1.0
  Au  Au0  1  0.37  0.0  0.49  1.0

data_LiSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.13
_cell_length_c   5.23
_cell_angle_alpha   99.18
_cell_angle_beta   90.0
_cell_angle_gamma   109.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Au
_chemical_formula_sum   'Li1 Sn2 Au1'
_cell_volume   86.66
_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  Li0  1  0.0  0.92  0.65  1.0
  Sn  Sn1  1  0.0  0.0  0.82  1.0
  Sn  Sn2  1  0.0  0.31  0.28  1.0
  Au  Au3  1  0.0  0.63  0.51  1.0

Li Sn Sn Au