data_LaAlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   3.55
_cell_angle_alpha   104.76
_cell_angle_beta   104.76
_cell_angle_gamma   118.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlPb2
_chemical_formula_sum   'La1 Al1 Pb2'
_cell_volume   116.82
_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  0.36  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.79  0.17  0.54  1.0
  Pb  Pb3  1  0.79  0.83  0.54  1.0

data_LaAlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.82
_cell_length_c   6.58
_cell_angle_alpha   115.69
_cell_angle_beta   104.76
_cell_angle_gamma   91.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlPb2
_chemical_formula_sum   'La1 Al1 Pb2'
_cell_volume   116.82
_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  0.0  0.0  0.36  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.37  0.83  0.62  1.0
  Pb  Pb3  1  0.71  0.17  0.96  1.0

La Al Pb Pb