data_CaHfTaCd
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfTaCd
_chemical_formula_sum   'Ca1 Hf1 Ta1 Cd1'
_cell_volume   88.26
_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  0.77  0.77  0.77  1.0
  Ta  Ta3  1  0.3  0.3  0.3  1.0
  Cd  Cd1  1  0.53  0.53  0.53  1.0

data_CaHfTaCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   12.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaHfTaCd
_chemical_formula_sum   'Ca3 Hf3 Ta3 Cd3'
_cell_volume   264.77
_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  0.23  1.0
  Ta  Ta2  3  0.0  0.0  0.7  1.0
  Cd  Cd3  3  0.0  0.0  0.47  1.0

Ca Hf Ta Cd
CaHfTaCd crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 11-coordinate geometry to four equivalent Hf(1), four equivalent Ta(1), and three equivalent Cd(1) atoms. There is one shorter (2.85 Å) and three longer (3.14 Å) Ca(1)-Hf(1) bond lengths. There are three shorter (2.91 Å) and one longer (3.68 Å) Ca(1)-Ta(1) bond length. All Ca(1)-Cd(1) bond lengths are 3.31 Å. Hf(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1), three equivalent Ta(1), and four equivalent Cd(1) atoms. All Hf(1)-Ta(1) bond lengths are 3.31 Å. There is one shorter (2.85 Å) and three longer (3.14 Å) Hf(1)-Cd(1) bond lengths. Ta(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), three equivalent Hf(1), and four equivalent Cd(1) atoms. There is one shorter (2.85 Å) and three longer (3.14 Å) Ta(1)-Cd(1) bond lengths. Cd(1) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Hf(1), and four equivalent Ta(1) atoms.