data_CaHfScCd
_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   CaHfScCd
_chemical_formula_sum   'Ca1 Hf1 Sc1 Cd1'
_cell_volume   97.94
_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  0.83  0.83  0.83  1.0
  Sc  Sc3  1  0.49  0.49  0.49  1.0
  Cd  Cd1  1  0.66  0.66  0.66  1.0

data_CaHfScCd
_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   CaHfScCd
_chemical_formula_sum   'Ca3 Hf3 Sc3 Cd3'
_cell_volume   293.81
_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  0.17  1.0
  Sc  Sc2  3  0.0  0.0  0.51  1.0
  Cd  Cd3  3  0.0  0.0  0.34  1.0

Ca Hf Sc Cd
CaScHfCd crystallizes in the trigonal R3m space group. Ca(1) is bonded to one Hf(1) and three equivalent Cd(1) atoms to form distorted CaHfCd3 trigonal pyramids that share  a cornercorner with one Cd(1)Ca3HfSc trigonal bipyramid and corners with six equivalent Ca(1)HfCd3 trigonal pyramids. The Ca(1)-Hf(1) bond length is 2.16 Å. All Ca(1)-Cd(1) bond lengths are 2.99 Å. Sc(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. The Sc(1)-Cd(1) bond length is 2.16 Å. Hf(1) is bonded in a distorted linear geometry to one Ca(1) and one Cd(1) atom. The Hf(1)-Cd(1) bond length is 2.16 Å. Cd(1) is bonded to three equivalent Ca(1), one Sc(1), and one Hf(1) atom to form distorted CdCa3HfSc trigonal bipyramids that share corners with six equivalent Cd(1)Ca3HfSc trigonal bipyramids and  a cornercorner with one Ca(1)HfCd3 trigonal pyramid.