data_LiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   9.02
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd3
_chemical_formula_sum   'Li4 Cd12'
_cell_volume   333.23
_cell_formula_units_Z   4
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  Li12  1  0.97  0.77  0.19  1.0
  Li  Li13  1  0.15  0.26  0.15  1.0
  Li  Li14  1  0.93  0.77  0.93  1.0
  Li  Li15  1  0.11  0.26  0.89  1.0
  Cd  Cd0  1  0.91  0.77  0.15  1.0
  Cd  Cd1  1  0.21  0.26  0.18  1.0
  Cd  Cd2  1  0.87  0.77  0.89  1.0
  Cd  Cd3  1  0.17  0.26  0.93  1.0
  Cd  Cd4  1  0.44  0.01  0.26  1.0
  Cd  Cd5  1  0.6  0.01  0.22  1.0
  Cd  Cd6  1  0.48  0.5  0.86  1.0
  Cd  Cd7  1  0.64  0.52  0.82  1.0
  Cd  Cd8  1  0.64  0.01  0.82  1.0
  Cd  Cd9  1  0.48  0.01  0.86  1.0
  Cd  Cd10  1  0.6  0.52  0.22  1.0
  Cd  Cd11  1  0.44  0.5  0.26  1.0

data_LiCd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.07
_cell_length_b   6.08
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiCd3
_chemical_formula_sum   'Li4 Cd12'
_cell_volume   333.23
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.11  0.24  1.0
  Li  Li1  2  0.15  0.93  0.76  1.0
  Cd  Cd2  2  0.11  0.87  0.76  1.0
  Cd  Cd3  2  0.15  0.17  0.24  1.0
  Cd  Cd4  2  0.18  0.56  0.0  1.0
  Cd  Cd5  2  0.18  0.56  0.51  1.0
  Cd  Cd6  2  0.22  0.4  1.0  1.0
  Cd  Cd7  2  0.22  0.4  0.49  1.0

Li Li Li Li Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd