data_LiCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.7
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   99.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Au
_chemical_formula_sum   'Li1 Cd2 Au1'
_cell_volume   75.81
_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  Cd1  1  0.02  0.35  0.14  1.0
  Cd  Cd2  1  0.95  0.35  0.36  1.0
  Au  Au0  1  0.99  0.0  0.75  1.0

data_LiCd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.7
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   99.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Au
_chemical_formula_sum   'Li1 Cd2 Au1'
_cell_volume   75.81
_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  0.02  0.35  0.14  1.0
  Cd  Cd2  1  0.95  0.35  0.36  1.0
  Au  Au3  1  0.99  0.0  0.75  1.0

Li Cd Cd Au
Li Cd Cd Au 0 3 - o - 1 2 - o o 