data_Al3PPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   7.5
_cell_length_c   10.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3PPb2
_chemical_formula_sum   'Al12 P4 Pb8'
_cell_volume   541.21
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.36  0.75  0.36  1.0
  Al  Al2  1  0.0  0.0  0.36  1.0
  Al  Al3  1  0.36  0.75  0.0  1.0
  Al  Al4  1  0.44  0.72  0.72  1.0
  Al  Al5  1  0.93  0.53  0.36  1.0
  Al  Al6  1  0.29  0.72  0.37  1.0
  Al  Al7  1  0.8  0.53  0.01  1.0
  Al  Al8  1  0.29  0.78  0.01  1.0
  Al  Al9  1  0.8  0.97  0.37  1.0
  Al  Al10  1  0.44  0.78  0.36  1.0
  Al  Al11  1  0.93  0.97  0.72  1.0
  P  P12  1  0.0  0.74  0.68  1.0
  P  P13  1  0.36  0.01  0.05  1.0
  P  P14  1  0.0  0.76  0.05  1.0
  P  P15  1  0.36  0.49  0.68  1.0
  Pb  Pb16  1  0.7  0.79  0.04  1.0
  Pb  Pb17  1  0.67  0.46  0.4  1.0
  Pb  Pb18  1  0.03  0.79  0.32  1.0
  Pb  Pb19  1  0.06  0.46  0.69  1.0
  Pb  Pb20  1  0.03  0.71  0.69  1.0
  Pb  Pb21  1  0.06  0.04  0.32  1.0
  Pb  Pb22  1  0.7  0.71  0.4  1.0
  Pb  Pb23  1  0.67  0.04  0.04  1.0

data_Al3PPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.73
_cell_length_b   7.5
_cell_length_c   10.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3PPb2
_chemical_formula_sum   'Al12 P4 Pb8'
_cell_volume   541.21
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.36  1.0
  Al  Al2  1  0.29  0.72  0.37  1.0
  Al  Al3  1  0.29  0.78  0.01  1.0
  Al  Al4  1  0.36  0.75  0.0  1.0
  Al  Al5  1  0.36  0.75  0.36  1.0
  Al  Al6  1  0.44  0.72  0.72  1.0
  Al  Al7  1  0.44  0.78  0.36  1.0
  Al  Al8  1  0.8  0.53  0.01  1.0
  Al  Al9  1  0.8  0.97  0.37  1.0
  Al  Al10  1  0.93  0.53  0.36  1.0
  Al  Al11  1  0.93  0.97  0.72  1.0
  P  P12  1  0.0  0.74  0.68  1.0
  P  P13  1  0.0  0.76  0.05  1.0
  P  P14  1  0.36  0.01  0.05  1.0
  P  P15  1  0.36  0.49  0.68  1.0
  Pb  Pb16  1  0.03  0.71  0.69  1.0
  Pb  Pb17  1  0.03  0.79  0.32  1.0
  Pb  Pb18  1  0.06  0.04  0.32  1.0
  Pb  Pb19  1  0.06  0.46  0.69  1.0
  Pb  Pb20  1  0.67  0.04  0.04  1.0
  Pb  Pb21  1  0.67  0.46  0.4  1.0
  Pb  Pb22  1  0.7  0.71  0.4  1.0
  Pb  Pb23  1  0.7  0.79  0.04  1.0

Al Al Al Al Al Al Al Al Al Al Al Al P P P P Pb Pb Pb Pb Pb Pb Pb Pb