data_NaCd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd5
_chemical_formula_sum   'Na1 Cd5'
_cell_volume   140.95
_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  Na5  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.3  0.54  0.28  1.0
  Cd  Cd1  1  0.3  0.72  0.0  1.0
  Cd  Cd2  1  0.3  0.0  0.28  1.0
  Cd  Cd3  1  0.3  0.28  0.0  1.0
  Cd  Cd4  1  0.3  0.46  0.28  1.0

data_NaCd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.59
_cell_length_c   7.1
_cell_angle_alpha   108.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd5
_chemical_formula_sum   'Na1 Cd5'
_cell_volume   140.95
_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  0.28  0.58  1.0
  Cd  Cd2  1  0.0  0.72  0.01  1.0
  Cd  Cd3  1  0.28  0.0  0.3  1.0
  Cd  Cd4  1  0.28  0.46  0.76  1.0
  Cd  Cd5  1  0.28  0.54  0.83  1.0

Na Cd Cd Cd Cd Cd
Na Cd Cd Cd Cd Cd 0 4 o o o 0 3 o o o 1 5 o o o 1 2 o o o 2 5 o o o 2 3 o + o 3 4 o o o 