data_KLaHfRh
_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   KLaHfRh
_chemical_formula_sum   'K1 La1 Hf1 Rh1'
_cell_volume   97.47
_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
  K  K1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.48  0.48  0.48  1.0
  Hf  Hf0  1  0.83  0.83  0.83  1.0
  Rh  Rh3  1  0.65  0.65  0.65  1.0

data_KLaHfRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLaHfRh
_chemical_formula_sum   'K3 La3 Hf3 Rh3'
_cell_volume   292.41
_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
  K  K0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.52  1.0
  Hf  Hf2  3  0.0  0.0  0.17  1.0
  Rh  Rh3  3  0.0  0.0  0.35  1.0

K La Hf Rh
K La Hf Rh 0 2 - - - 1 3 o o o 2 3 o o o 
KLaHfRh crystallizes in the trigonal R3m space group. K(1) is bonded to one Hf(1) and three equivalent Rh(1) atoms to form distorted KHfRh3 trigonal pyramids that share  a cornercorner with one Rh(1)K3LaHf trigonal bipyramid and corners with six equivalent K(1)HfRh3 trigonal pyramids. The K(1)-Hf(1) bond length is 2.20 Å. All K(1)-Rh(1) bond lengths are 2.99 Å. La(1) is bonded in a single-bond geometry to one Rh(1) atom. The La(1)-Rh(1) bond length is 2.20 Å. Hf(1) is bonded in a distorted linear geometry to one K(1) and one Rh(1) atom. The Hf(1)-Rh(1) bond length is 2.20 Å. Rh(1) is bonded to three equivalent K(1), one La(1), and one Hf(1) atom to form distorted RhK3LaHf trigonal bipyramids that share corners with six equivalent Rh(1)K3LaHf trigonal bipyramids and  a cornercorner with one K(1)HfRh3 trigonal pyramid.