data_Nb5Cd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Cd4
_chemical_formula_sum   'Nb10 Cd8'
_cell_volume   344.25
_cell_formula_units_Z   2
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
  Nb  Nb8  1  0.96  0.0  0.3  1.0
  Nb  Nb9  1  0.52  0.56  0.3  1.0
  Nb  Nb10  1  0.69  0.65  0.3  1.0
  Nb  Nb11  1  0.37  0.0  0.43  1.0
  Nb  Nb12  1  0.31  0.65  0.43  1.0
  Nb  Nb13  1  0.48  0.56  0.43  1.0
  Nb  Nb14  1  0.0  0.81  0.87  1.0
  Nb  Nb15  1  0.16  0.4  0.0  1.0
  Nb  Nb16  1  0.16  0.4  0.87  1.0
  Nb  Nb17  1  0.0  0.81  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.87  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.66  0.0  0.3  1.0
  Cd  Cd3  1  0.17  0.9  0.3  1.0
  Cd  Cd4  1  0.33  0.31  0.3  1.0
  Cd  Cd5  1  0.66  0.0  0.43  1.0
  Cd  Cd6  1  0.67  0.31  0.43  1.0
  Cd  Cd7  1  0.83  0.9  0.43  1.0

data_Nb5Cd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.73
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Cd4
_chemical_formula_sum   'Nb10 Cd8'
_cell_volume   344.25
_cell_formula_units_Z   2
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
  Nb  Nb0  1  -0.0  0.16  0.4  1.0
  Nb  Nb1  1  0.0  0.0  0.81  1.0
  Nb  Nb2  1  0.3  0.52  0.56  1.0
  Nb  Nb3  1  0.3  0.69  0.65  1.0
  Nb  Nb4  1  0.3  0.96  0.0  1.0
  Nb  Nb5  1  0.43  0.31  0.65  1.0
  Nb  Nb6  1  0.43  0.37  0.0  1.0
  Nb  Nb7  1  0.43  0.48  0.56  1.0
  Nb  Nb8  1  0.87  0.0  0.81  1.0
  Nb  Nb9  1  0.87  0.16  0.4  1.0
  Cd  Cd10  1  0.0  0.0  0.0  1.0
  Cd  Cd11  1  0.3  0.17  0.9  1.0
  Cd  Cd12  1  0.3  0.33  0.31  1.0
  Cd  Cd13  1  0.3  0.66  0.0  1.0
  Cd  Cd14  1  0.43  0.66  0.0  1.0
  Cd  Cd15  1  0.43  0.67  0.31  1.0
  Cd  Cd16  1  0.43  0.83  0.9  1.0
  Cd  Cd17  1  0.87  0.0  0.0  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Cd Cd Cd Cd Cd Cd Cd Cd