data_LiGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.32
_cell_angle_alpha   91.26
_cell_angle_beta   91.26
_cell_angle_gamma   93.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaAu2
_chemical_formula_sum   'Li1 Ga1 Au2'
_cell_volume   64.61
_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  0.0  1.0
  Ga  Ga2  1  0.04  0.0  0.0  1.0
  Au  Au0  1  0.47  0.6  0.66  1.0
  Au  Au1  1  0.47  0.4  0.66  1.0

data_LiGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   93.02
_cell_angle_beta   91.26
_cell_angle_gamma   91.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaAu2
_chemical_formula_sum   'Li1 Ga1 Au2'
_cell_volume   64.61
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.04  0.0  1.0
  Au  Au2  1  0.66  0.47  0.4  1.0
  Au  Au3  1  0.66  0.47  0.6  1.0

Li Ga Au Au