data_LaAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   135.7
_cell_angle_beta   135.7
_cell_angle_gamma   64.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Pb
_chemical_formula_sum   'La1 Al2 Pb1'
_cell_volume   100.5
_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  0.02  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.24  0.0  0.51  1.0
  Pb  Pb3  1  0.0  0.24  0.51  1.0

data_LaAl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.93
_cell_angle_alpha   112.15
_cell_angle_beta   112.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Pb
_chemical_formula_sum   'La1 Al2 Pb1'
_cell_volume   100.5
_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  La0  1  0.98  0.0  0.98  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.49  0.0  0.73  1.0
  Pb  Pb3  1  0.73  0.24  0.73  1.0

La Al Al Pb