data_AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPb
_chemical_formula_sum   'Al4 Pb4'
_cell_volume   222.29
_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  0.76  0.59  0.78  1.0
  Al  Al1  1  0.0  0.19  0.99  1.0
  Al  Al2  1  0.0  0.19  0.64  1.0
  Al  Al3  1  0.76  0.59  0.43  1.0
  Pb  Pb4  1  0.0  0.0  0.1  1.0
  Pb  Pb5  1  0.0  0.0  0.31  1.0
  Pb  Pb6  1  0.76  0.59  0.31  1.0
  Pb  Pb7  1  0.0  0.19  0.1  1.0

data_AlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPb
_chemical_formula_sum   'Al4 Pb4'
_cell_volume   222.29
_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  0.19  0.64  1.0
  Al  Al1  1  -0.0  0.19  0.99  1.0
  Al  Al2  1  0.76  0.59  0.43  1.0
  Al  Al3  1  0.76  0.59  0.78  1.0
  Pb  Pb4  1  -0.0  0.19  0.1  1.0
  Pb  Pb5  1  0.0  0.0  0.1  1.0
  Pb  Pb6  1  0.0  0.0  0.31  1.0
  Pb  Pb7  1  0.76  0.59  0.31  1.0

Al Al Al Al Pb Pb Pb Pb
Al Al Al Al Pb Pb Pb Pb 0 2 o o o 0 2 + + o 0 2 + o o 0 1 + + o 0 1 + o o 0 3 o o o 0 4 + + + 1 7 o o + 1 2 o o o 2 3 - o o 2 3 - - o 2 5 o o o 3 6 o o o 3 5 + + o 4 7 o o o 4 5 o o o 5 6 - - o 5 7 o o o 