data_LaPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd2Pb
_chemical_formula_sum   'La1 Pd2 Pb1'
_cell_volume   91.51
_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  0.0  1.0
  Pd  Pd2  1  0.45  0.0  0.3  1.0
  Pd  Pd3  1  0.45  0.0  0.82  1.0
  Pb  Pb1  1  0.0  0.0  0.56  1.0

data_LaPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd2Pb
_chemical_formula_sum   'La1 Pd2 Pb1'
_cell_volume   91.51
_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  0.0  1.0
  Pd  Pd1  1  0.45  0.0  0.3  1.0
  Pd  Pd2  1  0.45  0.0  0.82  1.0
  Pb  Pb3  1  0.0  0.0  0.56  1.0

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