data_LiInAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   133.73
_cell_angle_beta   132.27
_cell_angle_gamma   68.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInAu2
_chemical_formula_sum   'Li1 In1 Au2'
_cell_volume   72.43
_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  0.0  0.0  0.42  1.0
  In  In2  1  0.0  0.09  0.0  1.0
  Au  Au0  1  0.0  0.09  0.25  1.0
  Au  Au1  1  0.0  0.0  0.13  1.0

data_LiInAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.18
_cell_length_c   5.17
_cell_angle_alpha   113.86
_cell_angle_beta   113.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInAu2
_chemical_formula_sum   'Li1 In1 Au2'
_cell_volume   72.43
_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  0.42  0.42  1.0
  In  In1  1  0.91  0.91  0.91  1.0
  Au  Au2  1  0.0  0.13  0.13  1.0
  Au  Au3  1  0.91  0.16  0.16  1.0

Li In Au Au
Li In Au Au 0 2 o o o 1 3 o o o 2 3 o o o 