data_Cd3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Pb5
_chemical_formula_sum   'Cd3 Pb5'
_cell_volume   230.78
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.74  0.51  0.46  1.0
  Cd  Cd2  1  0.74  0.49  0.46  1.0
  Pb  Pb3  1  0.74  0.0  0.0  1.0
  Pb  Pb4  1  0.37  0.52  0.0  1.0
  Pb  Pb5  1  0.37  0.48  0.0  1.0
  Pb  Pb6  1  0.23  0.0  0.46  1.0
  Pb  Pb7  1  0.25  0.0  0.46  1.0

data_Cd3Pb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   92.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Pb5
_chemical_formula_sum   'Cd3 Pb5'
_cell_volume   230.78
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.46  0.74  0.49  1.0
  Cd  Cd2  1  0.46  0.74  0.51  1.0
  Pb  Pb3  1  0.0  0.37  0.48  1.0
  Pb  Pb4  1  0.0  0.37  0.52  1.0
  Pb  Pb5  1  0.0  0.74  0.0  1.0
  Pb  Pb6  1  0.46  0.23  0.0  1.0
  Pb  Pb7  1  0.46  0.25  0.0  1.0

Cd Cd Cd Pb Pb Pb Pb Pb
Cd Cd Cd Pb Pb Pb Pb Pb 0 3 - o o 1 2 o o o 4 5 o o o 6 7 o o o 