data_HfCdSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdSn4
_chemical_formula_sum   'Hf1 Cd1 Sn4'
_cell_volume   157.86
_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
  Hf  Hf1  1  0.14  0.14  0.14  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.22  0.22  0.36  1.0
  Sn  Sn3  1  0.22  0.36  0.22  1.0
  Sn  Sn4  1  0.36  0.22  0.22  1.0
  Sn  Sn5  1  0.36  0.36  0.36  1.0

data_HfCdSn4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   14.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfCdSn4
_chemical_formula_sum   'Hf3 Cd3 Sn12'
_cell_volume   473.59
_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
  Hf  Hf0  3  0.0  0.0  0.86  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  9  0.05  0.09  0.73  1.0
  Sn  Sn3  3  0.0  0.0  0.64  1.0

Hf Cd Sn Sn Sn Sn
HfCdSn4 crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 4-coordinate geometry to one Cd(1) and three equivalent Sn(1) atoms. The Hf(1)-Cd(1) bond length is 2.15 Å. All Hf(1)-Sn(1) bond lengths are 1.87 Å. Cd(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Sn(1) atoms. All Cd(1)-Sn(1) bond lengths are 3.17 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms. All Sn(2)-Sn(1) bond lengths are 1.49 Å. In the second Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Hf(1), one Cd(1), one Sn(2), and two equivalent Sn(1) atoms. Both Sn(1)-Sn(1) bond lengths are 0.86 Å.