data_CsPd3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPd3Br
_chemical_formula_sum   'Cs1 Pd3 Br1'
_cell_volume   149.91
_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  0.66  0.66  0.66  1.0
  Pd  Pd2  1  0.66  0.0  0.66  1.0
  Pd  Pd3  1  0.66  0.66  0.0  1.0
  Pd  Pd4  1  0.0  0.66  0.66  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_CsPd3Br
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsPd3Br
_chemical_formula_sum   'Cs3 Pd9 Br3'
_cell_volume   449.73
_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  0.66  1.0
  Pd  Pd1  9  0.22  0.78  0.44  1.0
  Br  Br2  3  0.0  0.0  0.0  1.0

Cs Pd Pd Pd Br
CsPd3Br is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CsPd3Br clusters. Cs(1) is bonded in a 3-coordinate geometry to three equivalent Pd(1) atoms. All Cs(1)-Pd(1) bond lengths are 1.83 Å. Pd(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Br(1) atom. The Pd(1)-Br(1) bond length is 2.58 Å. Br(1) is bonded in a 3-coordinate geometry to three equivalent Pd(1) atoms.