data_La2NbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbPd
_chemical_formula_sum   'La2 Nb1 Pd1'
_cell_volume   102.98
_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  0.56  1.0
  La  La1  1  0.68  0.68  0.74  1.0
  Nb  Nb2  1  0.0  0.0  0.02  1.0
  Pd  Pd3  1  0.68  0.68  0.38  1.0

data_La2NbPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2NbPd
_chemical_formula_sum   'La4 Nb2 Pd2'
_cell_volume   205.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.56  1.0
  La  La1  2  0.18  0.5  0.74  1.0
  Nb  Nb2  2  0.0  0.0  0.02  1.0
  Pd  Pd3  2  0.18  0.5  0.38  1.0

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