data_NaCd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd5
_chemical_formula_sum   'Na1 Cd5'
_cell_volume   138.97
_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  0.7  0.0  0.56  1.0
  Cd  Cd1  1  0.95  0.64  0.56  1.0
  Cd  Cd2  1  0.15  0.21  0.56  1.0
  Cd  Cd3  1  0.8  0.62  0.0  1.0
  Cd  Cd4  1  0.0  0.23  0.0  1.0

data_NaCd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   120.0
_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   138.97
_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  0.8  0.62  1.0
  Cd  Cd2  1  0.0  0.0  0.23  1.0
  Cd  Cd3  1  0.56  0.15  0.21  1.0
  Cd  Cd4  1  0.56  0.7  0.0  1.0
  Cd  Cd5  1  0.56  0.95  0.64  1.0

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