data_LiCu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.5
_cell_angle_alpha   99.25
_cell_angle_beta   99.25
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Au
_chemical_formula_sum   'Li1 Cu2 Au1'
_cell_volume   55.11
_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
  Cu  Cu1  1  0.68  0.0  0.35  1.0
  Cu  Cu2  1  0.65  0.0  0.09  1.0
  Au  Au0  1  0.16  0.0  0.22  1.0

data_LiCu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.5
_cell_length_c   4.74
_cell_angle_alpha   99.25
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Au
_chemical_formula_sum   'Li1 Cu2 Au1'
_cell_volume   55.11
_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
  Cu  Cu1  1  0.0  0.09  0.65  1.0
  Cu  Cu2  1  0.0  0.35  0.68  1.0
  Au  Au3  1  0.0  0.22  0.16  1.0

Li Cu Cu Au