data_RePPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   4.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePPd
_chemical_formula_sum   'Re1 P1 Pd1'
_cell_volume   45.26
_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
  Re  Re2  1  0.24  0.24  0.24  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.41  0.41  0.41  1.0

data_RePPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RePPd
_chemical_formula_sum   'Re3 P3 Pd3'
_cell_volume   135.77
_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
  Re  Re0  3  0.0  0.0  0.76  1.0
  P  P1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.59  1.0

Re P Pd
Re P Pd 0 2 o o o 0 1 o + o 0 1 + o o 0 1 o o + 0 1 o o o 1 2 - o o 1 2 o - o 1 2 o o - 
RePdP is half-Heusler structured and crystallizes in the trigonal R3m space group. Re(1) is bonded in a distorted single-bond geometry to one Pd(1) and four equivalent P(1) atoms. The Re(1)-Pd(1) bond length is 1.68 Å. There is one shorter (2.38 Å) and three longer (2.47 Å) Re(1)-P(1) bond lengths. Pd(1) is bonded in a single-bond geometry to one Re(1) and three equivalent P(1) atoms. All Pd(1)-P(1) bond lengths are 2.44 Å. P(1) is bonded in a 7-coordinate geometry to four equivalent Re(1) and three equivalent Pd(1) atoms.