data_LaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd3
_chemical_formula_sum   'La1 Pd3'
_cell_volume   76.3
_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  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.79  0.99  1.0
  Pd  Pd3  1  0.0  0.79  0.14  1.0

data_LaPd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.11
_cell_length_b   5.38
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPd3
_chemical_formula_sum   'La2 Pd6'
_cell_volume   152.61
_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  0.57  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.29  0.5  0.14  1.0
  Pd  Pd3  2  0.29  0.5  0.99  1.0

La Pd Pd Pd
LaPd3 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 9-coordinate geometry to six equivalent La(1), one Pd(1), one Pd(2), and one Pd(3) atom. All La(1)-La(1) bond lengths are 3.11 Å. The La(1)-Pd(1) bond length is 3.95 Å. The La(1)-Pd(2) bond length is 3.94 Å. The La(1)-Pd(3) bond length is 3.94 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one La(1), one Pd(2), and one Pd(3) atom. The Pd(1)-Pd(2) bond length is 0.65 Å. The Pd(1)-Pd(3) bond length is 1.45 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one La(1), one Pd(1), and one Pd(3) atom. The Pd(2)-Pd(3) bond length is 1.36 Å. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to one La(1), one Pd(1), and one Pd(2) atom.