data_LiCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   5.88
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdBi2
_chemical_formula_sum   'Li1 Cd1 Bi2'
_cell_volume   110.57
_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  0.45  0.0  0.12  1.0
  Cd  Cd2  1  0.85  0.94  0.62  1.0
  Bi  Bi0  1  0.17  0.94  0.27  1.0
  Bi  Bi1  1  0.67  0.0  0.46  1.0

data_LiCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.39
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdBi2
_chemical_formula_sum   'Li1 Cd1 Bi2'
_cell_volume   110.57
_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  0.55  0.88  0.0  1.0
  Cd  Cd1  1  0.15  0.38  0.06  1.0
  Bi  Bi2  1  0.33  0.54  0.0  1.0
  Bi  Bi3  1  0.83  0.73  0.06  1.0

Li Cd Bi Bi