data_Cd5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   20.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Pb
_chemical_formula_sum   'Cd5 Pb1'
_cell_volume   147.28
_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  0.1  1.0
  Cd  Cd1  1  0.0  0.0  0.41  1.0
  Cd  Cd2  1  0.0  0.0  0.6  1.0
  Cd  Cd3  1  0.74  0.0  0.59  1.0
  Cd  Cd4  1  0.74  0.0  0.67  1.0
  Pb  Pb5  1  0.74  0.0  0.19  1.0

data_Cd5Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.48
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Pb
_chemical_formula_sum   'Cd5 Pb1'
_cell_volume   147.28
_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  0.33  0.74  0.33  1.0
  Cd  Cd1  1  0.4  0.0  0.4  1.0
  Cd  Cd2  1  0.41  0.74  0.41  1.0
  Cd  Cd3  1  0.59  0.0  0.59  1.0
  Cd  Cd4  1  0.9  0.0  0.9  1.0
  Pb  Pb5  1  0.81  0.74  0.81  1.0

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