data_La2AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlPb
_chemical_formula_sum   'La2 Al1 Pb1'
_cell_volume   122.97
_cell_formula_units_Z   1
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  La1  1  0.83  0.83  0.71  1.0
  La  La2  1  0.0  0.0  0.61  1.0
  Al  Al0  1  0.0  0.0  0.67  1.0
  Pb  Pb3  1  0.83  0.83  0.02  1.0

data_La2AlPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2AlPb
_chemical_formula_sum   'La4 Al2 Pb2'
_cell_volume   245.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.61  1.0
  La  La1  2  0.33  0.5  0.71  1.0
  Al  Al2  2  0.0  0.0  0.67  1.0
  Pb  Pb3  2  0.33  0.5  0.02  1.0

La La Al Pb
La La Al Pb 0 2 + + o 0 3 o o + 1 2 o o o 2 3 - - + 3 3 + o o 3 3 o + o 