data_NaAlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   16.82
_cell_angle_beta   16.82
_cell_angle_gamma   16.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlCd2
_chemical_formula_sum   'Na1 Al1 Cd2'
_cell_volume   90.53
_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  0.82  1.0
  Al  Al0  1  0.0  0.0  0.72  1.0
  Cd  Cd1  1  0.0  0.0  0.09  1.0
  Cd  Cd2  1  0.0  0.0  0.01  1.0

data_NaAlCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAlCd2
_chemical_formula_sum   'Na2 Al2 Cd4'
_cell_volume   181.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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
  Na  Na0  2  -0.0  0.0  0.18  1.0
  Al  Al1  2  -0.0  0.0  0.28  1.0
  Cd  Cd2  2  -0.0  0.0  0.91  1.0
  Cd  Cd3  2  -0.0  0.0  0.99  1.0

Na Al Cd Cd
Na Al Cd Cd 0 1 o o o 2 3 o o o 