data_LiCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd
_chemical_formula_sum   'Li2 Cd2'
_cell_volume   75.61
_cell_formula_units_Z   2
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  Li2  1  0.68  0.0  0.53  1.0
  Li  Li3  1  0.0  0.68  0.14  1.0
  Cd  Cd0  1  0.68  0.0  0.67  1.0
  Cd  Cd1  1  0.0  0.68  0.99  1.0

data_LiCd
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   LiCd
_chemical_formula_sum   'Li4 Cd4'
_cell_volume   151.23
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.16  0.0  0.81  1.0
  Cd  Cd1  4  0.16  0.0  0.66  1.0

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