data_CsOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsOs2Pd
_chemical_formula_sum   'Cs1 Os2 Pd1'
_cell_volume   72.95
_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
  Cs  Cs0  1  0.32  0.32  0.32  1.0
  Os  Os1  1  0.66  0.66  0.66  1.0
  Os  Os2  1  0.97  0.97  0.97  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_CsOs2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsOs2Pd
_chemical_formula_sum   'Cs3 Os6 Pd3'
_cell_volume   218.85
_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
  Cs  Cs0  3  0.0  0.0  0.68  1.0
  Pd  Pd1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.03  1.0
  Os  Os3  3  0.0  0.0  0.34  1.0

Cs Os Os Pd
Cs Os Os Pd 0 3 o o + 0 3 o + o 0 3 + o o 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o + + 1 3 + o + 1 3 + + o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + + 
CsOs2Pd crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 11-coordinate geometry to three equivalent Os(2), four equivalent Os(1), and four equivalent Pd(1) atoms. All Cs(1)-Os(2) bond lengths are 2.71 Å. There are three shorter (2.71 Å) and one longer (3.93 Å) Cs(1)-Os(1) bond length. There are three shorter (2.71 Å) and one longer (3.63 Å) Cs(1)-Pd(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted trigonal planar geometry to four equivalent Cs(1) atoms. In the second Os site, Os(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Pd(1) atom. The Os(2)-Pd(1) bond length is 0.29 Å. Pd(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Os(2) atom.