data_KLa4Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa4Hf
_chemical_formula_sum   'K1 La4 Hf1'
_cell_volume   220.88
_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  0.94  0.94  0.66  1.0
  La  La3  1  0.94  0.66  0.94  1.0
  La  La4  1  0.66  0.94  0.94  1.0
  La  La5  1  0.66  0.66  0.66  1.0
  Hf  Hf0  1  0.2  0.2  0.2  1.0

data_KLa4Hf
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   16.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLa4Hf
_chemical_formula_sum   'K3 La12 Hf3'
_cell_volume   662.63
_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  9  0.18  0.09  0.16  1.0
  La  La2  3  0.0  0.0  0.34  1.0
  Hf  Hf3  3  0.0  0.0  0.8  1.0

K La La La La Hf
KLa4Hf is alpha Pu-derived structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 4-coordinate geometry to three equivalent La(1), three equivalent La(2), and one Hf(1) atom. All K(1)-La(1) bond lengths are 2.81 Å. All K(1)-La(2) bond lengths are 3.92 Å. The K(1)-Hf(1) bond length is 3.27 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one K(1), one La(2), two equivalent La(1), and one Hf(1) atom. The La(1)-La(2) bond length is 3.24 Å. Both La(1)-La(1) bond lengths are 1.87 Å. The La(1)-Hf(1) bond length is 2.86 Å. In the second La site, La(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent La(1) atoms. Hf(1) is bonded in a trigonal pyramidal geometry to one K(1) and three equivalent La(1) atoms.