data_LaCo4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo4Pd
_chemical_formula_sum   'La1 Co4 Pd1'
_cell_volume   90.21
_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  La4  1  0.34  0.34  0.34  1.0
  Co  Co0  1  0.46  0.46  0.66  1.0
  Co  Co1  1  0.46  0.66  0.46  1.0
  Co  Co2  1  0.66  0.46  0.46  1.0
  Co  Co3  1  0.66  0.66  0.66  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0

data_LaCo4Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCo4Pd
_chemical_formula_sum   'La3 Co12 Pd3'
_cell_volume   270.63
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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  0.66  1.0
  Co  Co1  9  0.07  0.13  0.47  1.0
  Co  Co2  3  0.0  0.0  0.34  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

La Co Co Co Co Pd
La Co Co Co Co Pd 0 2 o - o 0 2 o o o 0 5 o o + 0 5 o + o 0 5 + o o 0 3 - o o 0 3 o o o 0 4 - o o 0 4 o - o 0 4 o o - 0 1 o o - 0 1 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 + o + 1 5 o + + 1 5 o o + 2 3 o o o 2 4 o o o 2 5 + + o 2 5 o + + 2 5 o + o 3 4 o o o 3 5 + + o 3 5 + o + 3 5 + o o 4 5 + + o 4 5 + o + 4 5 o + + 
LaCo4Pd crystallizes in the trigonal R3m space group. La(1) is bonded to three equivalent Co(2), six equivalent Co(1), and three equivalent Pd(1) atoms to form a mixture of distorted corner and edge-sharing LaCo9Pd3 cuboctahedra. All La(1)-Co(2) bond lengths are 2.91 Å. There are three shorter (2.38 Å) and three longer (2.95 Å) La(1)-Co(1) bond lengths. All La(1)-Pd(1) bond lengths are 2.91 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent La(1), one Co(2), two equivalent Co(1), and three equivalent Pd(1) atoms. The Co(1)-Co(2) bond length is 1.72 Å. Both Co(1)-Co(1) bond lengths are 0.99 Å. There are two shorter (3.18 Å) and one longer (3.34 Å) Co(1)-Pd(1) bond length. In the second Co site, Co(2) is bonded in a distorted q6 geometry to three equivalent La(1), three equivalent Co(1), and three equivalent Pd(1) atoms. All Co(2)-Pd(1) bond lengths are 2.91 Å. Pd(1) is bonded in a 15-coordinate geometry to three equivalent La(1), three equivalent Co(2), and nine equivalent Co(1) atoms.