data_CaHfZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfZrCd
_chemical_formula_sum   'Ca1 Hf1 Zr1 Cd1'
_cell_volume   99.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.67  0.67  0.67  1.0
  Zr  Zr3  1  0.84  0.84  0.84  1.0
  Cd  Cd1  1  0.51  0.51  0.51  1.0

data_CaHfZrCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaHfZrCd
_chemical_formula_sum   'Ca3 Hf3 Zr3 Cd3'
_cell_volume   297.03
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.33  1.0
  Zr  Zr2  3  0.0  0.0  0.16  1.0
  Cd  Cd3  3  0.0  0.0  0.49  1.0

Ca Hf Zr Cd
CaHfZrCd crystallizes in the trigonal R3m space group. Ca(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1) and one Zr(1) atom. All Ca(1)-Hf(1) bond lengths are 3.00 Å. The Ca(1)-Zr(1) bond length is 2.09 Å. Hf(1) is bonded to three equivalent Ca(1), one Zr(1), and one Cd(1) atom to form distorted HfCa3ZrCd trigonal bipyramids that share corners with six equivalent Hf(1)Ca3ZrCd trigonal bipyramids and edges with three equivalent Zr(1)CaHfCd3 trigonal bipyramids. The Hf(1)-Zr(1) bond length is 2.09 Å. The Hf(1)-Cd(1) bond length is 2.09 Å. Zr(1) is bonded to one Ca(1), one Hf(1), and three equivalent Cd(1) atoms to form distorted ZrCaHfCd3 trigonal bipyramids that share corners with six equivalent Zr(1)CaHfCd3 trigonal bipyramids and edges with three equivalent Hf(1)Ca3ZrCd trigonal bipyramids. All Zr(1)-Cd(1) bond lengths are 3.00 Å. Cd(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Zr(1) atoms.