data_Cs3CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3CdMo
_chemical_formula_sum   'Cs3 Cd1 Mo1'
_cell_volume   350.29
_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  0.52  0.0  0.52  1.0
  Cs  Cs1  1  0.52  0.52  0.0  1.0
  Cs  Cs2  1  0.0  0.52  0.52  1.0
  Cd  Cd4  1  0.52  0.52  0.52  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Cs3CdMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   12.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cs3CdMo
_chemical_formula_sum   'Cs9 Cd3 Mo3'
_cell_volume   1050.86
_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  9  0.17  0.35  0.35  1.0
  Cd  Cd1  3  0.0  0.0  0.52  1.0
  Mo  Mo2  3  0.0  0.0  0.0  1.0

Cs Cs Cs Cd Mo
Cs Cs Cs Cd Mo 0 3 o - o 0 3 o o o 0 4 + o + 0 4 + o o 0 4 o o + 0 4 o o o 1 3 o o - 1 3 o o o 1 4 + + o 1 4 + o o 1 4 o + o 1 4 o o o 2 3 - o o 2 3 o o o 2 4 o + + 2 4 o + o 2 4 o o + 2 4 o o o 3 4 + + + 
Cs3MoCd is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded in a linear geometry to one Mo(1) and two equivalent Cd(1) atoms. The Cs(1)-Mo(1) bond length is 4.74 Å. There is one shorter (3.35 Å) and one longer (3.70 Å) Cs(1)-Cd(1) bond length. Mo(1) is bonded in a 3-coordinate geometry to three equivalent Cs(1) atoms. Cd(1) is bonded to six equivalent Cs(1) atoms to form corner-sharing CdCs6 octahedra. The corner-sharing octahedra are not tilted.