data_LiCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   135.19
_cell_angle_beta   130.11
_cell_angle_gamma   69.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdAu2
_chemical_formula_sum   'Li1 Cd1 Au2'
_cell_volume   68.6
_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
  Cd  Cd2  1  0.0  0.0  0.16  1.0
  Au  Au0  1  0.0  0.13  0.17  1.0
  Au  Au1  1  0.93  0.0  0.99  1.0

data_LiCdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.27
_cell_length_c   5.06
_cell_angle_alpha   114.95
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdAu2
_chemical_formula_sum   'Li1 Cd1 Au2'
_cell_volume   68.6
_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
  Cd  Cd1  1  0.84  0.84  0.84  1.0
  Au  Au2  1  0.83  0.97  0.97  1.0
  Au  Au3  1  0.93  0.01  0.93  1.0

Li Cd Au Au