data_LaPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   39.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPdPb2
_chemical_formula_sum   'La1 Pd1 Pb2'
_cell_volume   113.07
_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  0.07  0.0  0.39  1.0
  Pd  Pd3  1  0.0  0.0  0.9  1.0
  Pb  Pb1  1  0.0  0.0  0.26  1.0
  Pb  Pb2  1  0.07  0.0  0.98  1.0

data_LaPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.46
_cell_length_c   6.52
_cell_angle_alpha   109.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPdPb2
_chemical_formula_sum   'La1 Pd1 Pb2'
_cell_volume   113.07
_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  0.93  0.39  0.39  1.0
  Pd  Pd1  1  0.0  0.9  0.9  1.0
  Pb  Pb2  1  0.0  0.26  0.26  1.0
  Pb  Pb3  1  0.93  0.98  0.98  1.0

La Pd Pb Pb