data_LaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd3
_chemical_formula_sum   'La2 Pd6'
_cell_volume   159.14
_cell_formula_units_Z   2
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  0.71  0.71  0.71  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.71  0.06  0.0  1.0
  Pd  Pd3  1  0.71  0.35  0.0  1.0
  Pd  Pd4  1  0.06  0.0  0.71  1.0
  Pd  Pd5  1  0.0  0.71  0.06  1.0
  Pd  Pd6  1  0.0  0.71  0.35  1.0
  Pd  Pd7  1  0.35  0.0  0.71  1.0

data_LaPd3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LaPd3
_chemical_formula_sum   'La6 Pd18'
_cell_volume   477.42
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.71  1.0
  Pd  Pd2  9  0.0  0.65  0.35  1.0
  Pd  Pd3  9  0.08  0.86  0.92  1.0

La La Pd Pd Pd Pd Pd Pd
LaPd3 crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted hexagonal planar geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms. All La(1)-Pd(1) bond lengths are 2.48 Å. All La(1)-Pd(2) bond lengths are 2.48 Å. In the second La site, La(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pd(1) atoms. All La(2)-Pd(1) bond lengths are 1.61 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one La(1), one La(2), and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 1.57 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one La(1) and one Pd(1) atom.