data_La3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   17.63
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Pb
_chemical_formula_sum   'La18 Pb6'
_cell_volume   789.84
_cell_formula_units_Z   6
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  0.28  0.94  0.03  1.0
  La  La1  1  0.28  0.69  0.03  1.0
  La  La2  1  0.28  0.82  0.32  1.0
  La  La3  1  0.3  0.0  0.03  1.0
  La  La4  1  0.31  0.76  0.32  1.0
  La  La5  1  0.31  0.87  0.32  1.0
  La  La6  1  0.0  0.0  0.95  1.0
  La  La7  1  0.0  0.76  0.15  1.0
  La  La8  1  0.0  0.88  0.15  1.0
  La  La9  1  0.78  0.94  0.03  1.0
  La  La10  1  0.78  0.69  0.03  1.0
  La  La11  1  0.77  0.82  0.32  1.0
  La  La12  1  0.76  0.0  0.03  1.0
  La  La13  1  0.75  0.76  0.32  1.0
  La  La14  1  0.75  0.87  0.32  1.0
  La  La15  1  0.53  0.82  0.4  1.0
  La  La16  1  0.53  0.94  0.2  1.0
  La  La17  1  0.53  0.69  0.2  1.0
  Pb  Pb18  1  0.0  0.82  0.11  1.0
  Pb  Pb19  1  0.0  0.98  0.18  1.0
  Pb  Pb20  1  0.0  0.66  0.18  1.0
  Pb  Pb21  1  0.53  0.0  0.24  1.0
  Pb  Pb22  1  0.53  0.79  0.17  1.0
  Pb  Pb23  1  0.53  0.84  0.17  1.0

data_La3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.35
_cell_length_b   7.06
_cell_length_c   17.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Pb
_chemical_formula_sum   'La18 Pb6'
_cell_volume   789.84
_cell_formula_units_Z   6
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  0.03  0.3  0.0  1.0
  La  La1  1  0.03  0.76  0.0  1.0
  La  La2  1  0.03  0.28  0.69  1.0
  La  La3  1  0.03  0.28  0.94  1.0
  La  La4  1  0.03  0.78  0.69  1.0
  La  La5  1  0.03  0.78  0.94  1.0
  La  La6  1  0.15  0.0  0.76  1.0
  La  La7  1  0.15  0.0  0.88  1.0
  La  La8  1  0.2  0.53  0.69  1.0
  La  La9  1  0.2  0.53  0.94  1.0
  La  La10  1  0.32  0.31  0.76  1.0
  La  La11  1  0.32  0.31  0.87  1.0
  La  La12  1  0.32  0.75  0.76  1.0
  La  La13  1  0.32  0.75  0.87  1.0
  La  La14  1  0.32  0.28  0.82  1.0
  La  La15  1  0.32  0.77  0.82  1.0
  La  La16  1  0.4  0.53  0.82  1.0
  La  La17  1  0.95  0.0  0.0  1.0
  Pb  Pb18  1  0.11  0.0  0.82  1.0
  Pb  Pb19  1  0.17  0.53  0.79  1.0
  Pb  Pb20  1  0.17  0.53  0.84  1.0
  Pb  Pb21  1  0.18  0.0  0.66  1.0
  Pb  Pb22  1  0.18  0.0  0.98  1.0
  Pb  Pb23  1  0.24  0.53  0.0  1.0

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