data_NaCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.12
_cell_angle_alpha   96.97
_cell_angle_beta   96.97
_cell_angle_gamma   36.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdBi2
_chemical_formula_sum   'Na1 Cd1 Bi2'
_cell_volume   115.47
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.96  0.0  0.03  1.0
  Bi  Bi0  1  0.12  0.0  0.53  1.0
  Bi  Bi1  1  0.79  0.0  0.54  1.0

data_NaCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.64
_cell_length_c   6.12
_cell_angle_alpha   96.97
_cell_angle_beta   90.0
_cell_angle_gamma   108.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdBi2
_chemical_formula_sum   'Na1 Cd1 Bi2'
_cell_volume   115.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.04  0.97  1.0
  Bi  Bi2  1  0.0  0.21  0.46  1.0
  Bi  Bi3  1  0.0  0.88  0.47  1.0

Na Cd Bi Bi
Na Cd Bi Bi 0 1 - o o 2 3 - o o 