data_LaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb
_chemical_formula_sum   'La2 Pb2'
_cell_volume   145.72
_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
  La  La0  1  0.93  0.0  0.84  1.0
  La  La1  1  0.0  0.93  0.4  1.0
  Pb  Pb2  1  0.93  0.93  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

data_LaPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPb
_chemical_formula_sum   'La4 Pb4'
_cell_volume   291.44
_cell_formula_units_Z   4
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  0.4  1.0
  La  La1  2  0.43  0.5  0.84  1.0
  Pb  Pb2  4  0.46  0.46  -0.0  1.0

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