data_SrHfAlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfAlPd
_chemical_formula_sum   'Sr1 Hf1 Al1 Pd1'
_cell_volume   84.04
_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
  Sr  Sr3  1  0.21  0.21  0.21  1.0
  Hf  Hf1  1  0.48  0.48  0.48  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.74  0.74  0.74  1.0

data_SrHfAlPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrHfAlPd
_chemical_formula_sum   'Sr3 Hf3 Al3 Pd3'
_cell_volume   252.11
_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
  Sr  Sr0  3  0.0  0.0  0.79  1.0
  Hf  Hf1  3  0.0  0.0  0.52  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.26  1.0

Sr Hf Al Pd
Sr Hf Al Pd 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 3 - - o 0 3 - o - 0 3 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 1 3 - o o 1 3 o - o 1 3 o o - 1 3 o o o 2 3 - - - 2 3 - - o 2 3 - o - 2 3 o - - 
SrHfPdAl crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 1-coordinate geometry to four equivalent Hf(1), six equivalent Pd(1), and four equivalent Al(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Sr(1)-Hf(1) bond length. There are three shorter (3.32 Å) and three longer (3.65 Å) Sr(1)-Pd(1) bond lengths. There is one shorter (2.59 Å) and three longer (3.18 Å) Sr(1)-Al(1) bond lengths. Hf(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Pd(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Hf(1)-Pd(1) bond length. Pd(1) is bonded in a 14-coordinate geometry to six equivalent Sr(1), four equivalent Hf(1), and four equivalent Al(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Pd(1)-Al(1) bond length. Al(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Pd(1) atoms.