data_La5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   16.48
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Pb4
_chemical_formula_sum   'La20 Pb16'
_cell_volume   1245.94
_cell_formula_units_Z   4
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
  La  La0  1  0.6  0.54  0.98  1.0
  La  La1  1  0.36  0.93  0.35  1.0
  La  La2  1  0.04  0.31  0.77  1.0
  La  La3  1  0.28  0.17  0.4  1.0
  La  La4  1  0.04  0.93  0.77  1.0
  La  La5  1  0.28  0.54  0.4  1.0
  La  La6  1  0.6  0.17  0.98  1.0
  La  La7  1  0.36  0.31  0.35  1.0
  La  La8  1  0.24  0.81  0.18  1.0
  La  La9  1  0.08  0.67  0.81  1.0
  La  La10  1  0.4  0.57  0.57  1.0
  La  La11  1  0.56  0.9  0.95  1.0
  La  La12  1  0.4  0.67  0.57  1.0
  La  La13  1  0.56  0.81  0.95  1.0
  La  La14  1  0.24  0.9  0.18  1.0
  La  La15  1  0.08  0.57  0.81  1.0
  La  La16  1  0.14  0.36  0.03  1.0
  La  La17  1  0.82  0.12  0.4  1.0
  La  La18  1  0.5  0.12  0.72  1.0
  La  La19  1  0.82  0.36  0.35  1.0
  Pb  Pb20  1  0.67  0.36  0.05  1.0
  Pb  Pb21  1  0.65  0.12  0.42  1.0
  Pb  Pb22  1  0.97  0.12  0.7  1.0
  Pb  Pb23  1  0.99  0.36  0.33  1.0
  Pb  Pb24  1  0.21  0.36  0.63  1.0
  Pb  Pb25  1  0.75  0.12  0.26  1.0
  Pb  Pb26  1  0.43  0.12  0.12  1.0
  Pb  Pb27  1  0.89  0.36  0.49  1.0
  Pb  Pb28  1  0.73  0.72  0.66  1.0
  Pb  Pb29  1  0.23  0.76  0.28  1.0
  Pb  Pb30  1  0.91  0.95  0.1  1.0
  Pb  Pb31  1  0.41  0.52  0.47  1.0
  Pb  Pb32  1  0.91  0.76  0.1  1.0
  Pb  Pb33  1  0.41  0.72  0.47  1.0
  Pb  Pb34  1  0.73  0.52  0.66  1.0
  Pb  Pb35  1  0.23  0.95  0.28  1.0

data_La5Pb4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.64
_cell_length_b   8.75
_cell_length_c   16.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La5Pb4
_chemical_formula_sum   'La20 Pb16'
_cell_volume   1245.94
_cell_formula_units_Z   4
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
  La  La0  2  0.0  0.53  0.38  1.0
  La  La1  2  0.22  0.9  0.57  1.0
  La  La2  2  0.22  0.9  0.19  1.0
  La  La3  2  0.26  0.93  0.93  1.0
  La  La4  2  0.26  0.93  0.83  1.0
  La  La5  2  0.32  0.15  0.62  1.0
  La  La6  2  0.42  0.31  0.17  1.0
  La  La7  2  0.42  0.31  0.07  1.0
  La  La8  2  0.46  0.52  0.81  1.0
  La  La9  2  0.46  0.52  0.43  1.0
  Pb  Pb10  2  0.07  0.62  0.62  1.0
  Pb  Pb11  2  0.09  0.22  0.22  1.0
  Pb  Pb12  2  0.09  0.22  0.02  1.0
  Pb  Pb13  2  0.15  0.83  0.38  1.0
  Pb  Pb14  2  0.17  0.45  0.62  1.0
  Pb  Pb15  2  0.39  0.76  0.62  1.0
  Pb  Pb16  2  0.41  0.4  0.22  1.0
  Pb  Pb17  2  0.41  0.4  0.02  1.0

La La La La La La La La La La La La La La La La La La La La Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb