data_SrZrZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrZnCd
_chemical_formula_sum   'Sr1 Zr1 Zn1 Cd1'
_cell_volume   97.89
_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  Sr1  1  0.66  0.66  0.66  1.0
  Zr  Zr3  1  0.83  0.83  0.83  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.49  0.49  0.49  1.0

data_SrZrZnCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrZrZnCd
_chemical_formula_sum   'Sr3 Zr3 Zn3 Cd3'
_cell_volume   293.67
_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  3  0.0  0.0  0.34  1.0
  Zr  Zr1  3  0.0  0.0  0.17  1.0
  Zn  Zn2  3  0.0  0.0  0.0  1.0
  Cd  Cd3  3  0.0  0.0  0.51  1.0

Sr Zr Zn Cd
Sr Zr Zn Cd 0 3 o o o 0 1 o o o 1 2 + + + 
SrZrCdZn crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Zr(1), one Cd(1), and three equivalent Zn(1) atoms to form distorted SrZrZn3Cd trigonal bipyramids that share corners with six equivalent Sr(1)ZrZn3Cd trigonal bipyramids,  a cornercorner with one Zn(1)Sr3Zr trigonal pyramid, and edges with three equivalent Zr(1)SrZnCd3 trigonal bipyramids. The Sr(1)-Zr(1) bond length is 2.17 Å. The Sr(1)-Cd(1) bond length is 2.17 Å. All Sr(1)-Zn(1) bond lengths are 2.99 Å. Zr(1) is bonded to one Sr(1), three equivalent Cd(1), and one Zn(1) atom to form distorted ZrSrZnCd3 trigonal bipyramids that share corners with six equivalent Zr(1)SrZnCd3 trigonal bipyramids, corners with three equivalent Zn(1)Sr3Zr trigonal pyramids, and edges with three equivalent Sr(1)ZrZn3Cd trigonal bipyramids. All Zr(1)-Cd(1) bond lengths are 2.99 Å. The Zr(1)-Zn(1) bond length is 2.17 Å. Cd(1) is bonded in a distorted single-bond geometry to one Sr(1) and three equivalent Zr(1) atoms. Zn(1) is bonded to three equivalent Sr(1) and one Zr(1) atom to form ZnSr3Zr trigonal pyramids that share  a cornercorner with one Sr(1)ZrZn3Cd trigonal bipyramid, corners with three equivalent Zr(1)SrZnCd3 trigonal bipyramids, and corners with six equivalent Zn(1)Sr3Zr trigonal pyramids.