data_La2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiPd
_chemical_formula_sum   'La2 Ni1 Pd1'
_cell_volume   93.2
_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  0.41  0.0  0.62  1.0
  La  La1  1  0.41  0.0  0.75  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.68  1.0

data_La2NiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiPd
_chemical_formula_sum   'La2 Ni1 Pd1'
_cell_volume   93.2
_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  0.41  0.0  0.62  1.0
  La  La1  1  0.41  0.0  0.75  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.68  1.0

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