data_LiCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.62
_cell_angle_alpha   99.27
_cell_angle_beta   99.27
_cell_angle_gamma   34.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdBi2
_chemical_formula_sum   'Li1 Cd1 Bi2'
_cell_volume   108.63
_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  0.08  0.0  0.17  1.0
  Cd  Cd2  1  0.18  0.0  0.76  1.0
  Bi  Bi0  1  0.24  0.0  0.37  1.0
  Bi  Bi1  1  0.15  0.0  0.54  1.0

data_LiCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.62
_cell_length_c   5.87
_cell_angle_alpha   99.27
_cell_angle_beta   107.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdBi2
_chemical_formula_sum   'Li1 Cd1 Bi2'
_cell_volume   108.63
_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  0.17  0.08  1.0
  Cd  Cd1  1  0.0  0.76  0.18  1.0
  Bi  Bi2  1  0.0  0.37  0.24  1.0
  Bi  Bi3  1  0.0  0.54  0.15  1.0

Li Cd Bi Bi
Li Cd Bi Bi 0 2 o o o 1 3 o o o 2 3 o o o 