data_Al2Pb3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   5.69
_cell_angle_alpha   102.41
_cell_angle_beta   102.41
_cell_angle_gamma   64.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Pb3N4
_chemical_formula_sum   'Al4 Pb6 N8'
_cell_volume   339.38
_cell_formula_units_Z   2
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  0.78  0.92  0.18  1.0
  Al  Al1  1  0.02  0.92  0.07  1.0
  Al  Al2  1  0.74  0.08  0.32  1.0
  Al  Al3  1  0.51  0.08  0.43  1.0
  Pb  Pb4  1  0.01  0.8  0.72  1.0
  Pb  Pb5  1  0.23  0.8  0.03  1.0
  Pb  Pb6  1  0.51  0.2  0.79  1.0
  Pb  Pb7  1  0.29  0.2  0.47  1.0
  Pb  Pb8  1  0.9  0.84  0.13  1.0
  Pb  Pb9  1  0.62  0.16  0.38  1.0
  N  N10  1  0.15  0.82  0.89  1.0
  N  N11  1  0.65  0.82  0.37  1.0
  N  N12  1  0.38  0.18  0.62  1.0
  N  N13  1  0.87  0.18  0.14  1.0
  N  N14  1  0.29  0.67  0.0  1.0
  N  N15  1  0.51  0.67  0.25  1.0
  N  N16  1  0.23  0.33  0.5  1.0
  N  N17  1  0.02  0.33  0.25  1.0

data_Al2Pb3N4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.69
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   64.58
_cell_angle_beta   77.59
_cell_angle_gamma   77.59
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Pb3N4
_chemical_formula_sum   'Al4 Pb6 N8'
_cell_volume   339.38
_cell_formula_units_Z   2
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
  Al  Al0  2  0.07  0.02  0.92  1.0
  Al  Al1  2  0.18  0.26  0.92  1.0
  Pb  Pb2  2  0.12  0.14  0.84  1.0
  Pb  Pb3  2  0.22  0.47  0.8  1.0
  Pb  Pb4  2  0.47  0.75  0.2  1.0
  N  N5  2  0.0  0.26  0.33  1.0
  N  N6  2  0.12  0.11  0.18  1.0
  N  N7  2  0.25  0.53  0.67  1.0
  N  N8  2  0.36  0.39  0.82  1.0

Al Al Al Al Pb Pb Pb Pb Pb Pb N N N N N N N N
Al Al Al Al Pb Pb Pb Pb Pb Pb N N N N N N N N 0 8 o o o 0 11 o o o 1 8 - o o 1 5 o o o 1 10 o o - 1 13 - + o 2 9 o o o 2 13 o o o 3 12 o o o 3 7 o o o 3 9 o o o 3 11 o - o 4 10 o o o 5 10 o o - 5 14 o o o 5 15 o o o 6 12 o o o 7 16 o o o 7 12 o o o 7 17 o o o 11 15 o o o 13 17 + o o 14 15 o o o 16 17 o o o 