data_CdPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPb5
_chemical_formula_sum   'Cd1 Pb5'
_cell_volume   183.76
_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
  Pb  Pb1  1  0.49  0.08  0.5  1.0
  Pb  Pb2  1  0.49  0.59  0.0  1.0
  Pb  Pb3  1  0.49  0.0  0.5  1.0
  Pb  Pb4  1  0.49  0.41  0.0  1.0
  Pb  Pb5  1  0.49  0.92  0.5  1.0

data_CdPb5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.98
_cell_length_b   5.0
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdPb5
_chemical_formula_sum   'Cd1 Pb5'
_cell_volume   183.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Pb  Pb1  1  0.0  0.5  0.49  1.0
  Pb  Pb2  1  0.08  0.5  0.57  1.0
  Pb  Pb3  1  0.41  0.0  0.9  1.0
  Pb  Pb4  1  0.59  0.0  0.09  1.0
  Pb  Pb5  1  0.92  0.5  0.41  1.0

Cd Pb Pb Pb Pb Pb