data_LaAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.99
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Pb
_chemical_formula_sum   'La1 Al2 Pb1'
_cell_volume   103.17
_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  La2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.71  0.49  0.38  1.0
  Al  Al1  1  0.71  0.49  0.67  1.0
  Pb  Pb3  1  0.71  0.0  0.02  1.0

data_LaAl2Pb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.42
_cell_length_b   4.99
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaAl2Pb
_chemical_formula_sum   'La1 Al2 Pb1'
_cell_volume   103.17
_cell_formula_units_Z   1
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
  La  La0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.71  0.5  0.38  1.0
  Al  Al2  1  0.71  0.5  0.67  1.0
  Pb  Pb3  1  0.71  0.0  0.02  1.0

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