data_La2FePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.53
_cell_angle_alpha   90.95
_cell_angle_beta   90.95
_cell_angle_gamma   89.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FePd
_chemical_formula_sum   'La2 Fe1 Pd1'
_cell_volume   91.23
_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  0.76  0.8  0.77  1.0
  La  La2  1  0.76  0.2  0.77  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.6  0.0  0.0  1.0

data_La2FePd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.53
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2FePd
_chemical_formula_sum   'La2 Fe1 Pd1'
_cell_volume   91.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.77  0.2  0.76  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.6  1.0

La La Fe Pd
La La Fe Pd 0 3 o + + 0 2 + + + 1 3 o o + 1 2 + o + 2 3 - o o 
La2FePd crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one La2FePd cluster. La(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Pd(1) atom. The La(1)-Fe(1) bond length is 1.81 Å. The La(1)-Pd(1) bond length is 1.57 Å. Fe(1) is bonded in a 2-coordinate geometry to two equivalent La(1) atoms. Pd(1) is bonded in a distorted L-shaped geometry to two equivalent La(1) atoms.