data_Sr4OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4OsPd
_chemical_formula_sum   'Sr4 Os1 Pd1'
_cell_volume   181.74
_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  Sr2  1  0.61  0.61  0.38  1.0
  Sr  Sr3  1  0.61  0.38  0.61  1.0
  Sr  Sr4  1  0.38  0.61  0.61  1.0
  Sr  Sr5  1  0.38  0.38  0.38  1.0
  Os  Os0  1  0.74  0.74  0.74  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Sr4OsPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   15.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4OsPd
_chemical_formula_sum   'Sr12 Os3 Pd3'
_cell_volume   545.22
_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  9  0.16  0.08  0.47  1.0
  Sr  Sr1  3  0.0  0.0  0.62  1.0
  Pd  Pd2  3  0.0  0.0  -0.0  1.0
  Os  Os3  3  0.0  0.0  0.26  1.0

Sr Sr Sr Sr Os Pd
Sr4OsPd crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), two equivalent Os(1), and one Pd(1) atom. The Sr(1)-Sr(2) bond length is 2.58 Å. Both Sr(1)-Sr(1) bond lengths are 1.49 Å. There is one shorter (3.36 Å) and one longer (3.41 Å) Sr(1)-Os(1) bond length. The Sr(1)-Pd(1) bond length is 3.48 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Os(1), and three equivalent Pd(1) atoms. All Sr(2)-Os(1) bond lengths are 3.70 Å. All Sr(2)-Pd(1) bond lengths are 3.74 Å. Os(1) is bonded in a 9-coordinate geometry to three equivalent Sr(2) and six equivalent Sr(1) atoms. Pd(1) is bonded to three equivalent Sr(1) and three equivalent Sr(2) atoms to form distorted corner-sharing PdSr6 octahedra. The corner-sharing octahedral tilt angles are 63°.