data_ZnCrCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrCd3
_chemical_formula_sum   'Zn1 Cr1 Cd3'
_cell_volume   125.21
_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
  Zn  Zn1  1  0.5  0.5  0.5  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.5  0.0  0.5  1.0
  Cd  Cd3  1  0.5  0.5  0.0  1.0
  Cd  Cd4  1  0.0  0.5  0.5  1.0

data_ZnCrCd3
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   ZnCrCd3
_chemical_formula_sum   'Zn1 Cr1 Cd3'
_cell_volume   125.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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
  Zn  Zn0  1  0.5  0.5  0.5  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.5  0.5  1.0

Zn Cr Cd Cd Cd
Zn Cr Cd Cd Cd 0 4 o o o 0 4 + o o 0 2 o o o 0 2 o + o 0 3 o o o 0 3 o o + 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 4 o - - 1 4 o - o 1 4 o o - 1 4 o o o 
CrCd3Zn is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to twelve equivalent Cd(1) atoms to form CrCd12 cuboctahedra that share corners with twelve equivalent Cr(1)Cd12 cuboctahedra, faces with six equivalent Cr(1)Cd12 cuboctahedra, and faces with eight equivalent Zn(1)Cd6 octahedra. There are a spread of Cr(1)-Cd(1) bond distances ranging from 3.53-3.55 Å. Cd(1) is bonded in a linear geometry to four equivalent Cr(1) and two equivalent Zn(1) atoms. There is one shorter (2.49 Å) and one longer (2.51 Å) Cd(1)-Zn(1) bond length. Zn(1) is bonded to six equivalent Cd(1) atoms to form ZnCd6 octahedra that share corners with six equivalent Zn(1)Cd6 octahedra and faces with eight equivalent Cr(1)Cd12 cuboctahedra. The corner-sharing octahedra are not tilted.