data_LiCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.69
_cell_angle_alpha   98.86
_cell_angle_beta   98.86
_cell_angle_gamma   33.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuAu2
_chemical_formula_sum   'Li1 Cu1 Au2'
_cell_volume   61.68
_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  0.78  0.0  0.57  1.0
  Cu  Cu2  1  0.31  0.0  0.2  1.0
  Au  Au0  1  0.68  0.0  0.48  1.0
  Au  Au1  1  0.88  0.0  0.32  1.0

data_LiCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.69
_cell_length_c   4.91
_cell_angle_alpha   98.86
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuAu2
_chemical_formula_sum   'Li1 Cu1 Au2'
_cell_volume   61.68
_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  0.57  0.78  1.0
  Cu  Cu1  1  0.0  0.2  0.31  1.0
  Au  Au2  1  0.0  0.32  0.88  1.0
  Au  Au3  1  0.0  0.48  0.68  1.0

Li Cu Au Au