data_LiLaHfCd
_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   LiLaHfCd
_chemical_formula_sum   'Li1 La1 Hf1 Cd1'
_cell_volume   98.93
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.51  0.51  0.51  1.0
  Hf  Hf1  1  0.84  0.84  0.84  1.0
  Cd  Cd0  1  0.67  0.67  0.67  1.0

data_LiLaHfCd
_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   LiLaHfCd
_chemical_formula_sum   'Li3 La3 Hf3 Cd3'
_cell_volume   296.8
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.49  1.0
  Hf  Hf2  3  0.0  0.0  0.16  1.0
  Cd  Cd3  3  0.0  0.0  0.33  1.0

Li La Hf Cd
LiLaHfCd crystallizes in the trigonal R3m space group. Li(1) is bonded to one Hf(1) and three equivalent Cd(1) atoms to form distorted LiHfCd3 trigonal pyramids that share  a cornercorner with one Cd(1)Li3LaHf trigonal bipyramid and corners with six equivalent Li(1)HfCd3 trigonal pyramids. The Li(1)-Hf(1) bond length is 2.09 Å. All Li(1)-Cd(1) bond lengths are 3.00 Å. La(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. The La(1)-Cd(1) bond length is 2.09 Å. Hf(1) is bonded in a distorted linear geometry to one Li(1) and one Cd(1) atom. The Hf(1)-Cd(1) bond length is 2.09 Å. Cd(1) is bonded to three equivalent Li(1), one La(1), and one Hf(1) atom to form distorted CdLi3LaHf trigonal bipyramids that share corners with six equivalent Cd(1)Li3LaHf trigonal bipyramids and  a cornercorner with one Li(1)HfCd3 trigonal pyramid.