data_LiCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   5.62
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   94.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Sb
_chemical_formula_sum   'Li1 Cd2 Sb1'
_cell_volume   92.11
_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  Li2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.11  0.81  0.83  1.0
  Cd  Cd1  1  0.75  0.81  0.23  1.0
  Sb  Sb3  1  0.43  0.0  0.53  1.0

data_LiCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.07
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Sb
_chemical_formula_sum   'Li1 Cd2 Sb1'
_cell_volume   92.11
_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
  Cd  Cd1  1  0.25  0.77  0.19  1.0
  Cd  Cd2  1  0.89  0.17  0.19  1.0
  Sb  Sb3  1  0.57  0.47  0.0  1.0

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