data_K3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Th
_chemical_formula_sum   'K3 Th1'
_cell_volume   219.6
_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  K0  1  0.18  0.18  0.18  1.0
  K  K1  1  0.39  0.39  0.39  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Th  Th3  1  0.79  0.79  0.79  1.0

data_K3Th
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   16.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K3Th
_chemical_formula_sum   'K9 Th3'
_cell_volume   658.79
_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
  K  K1  3  0.0  0.0  0.61  1.0
  K  K2  3  0.0  0.0  0.82  1.0
  Th  Th3  3  0.0  0.0  0.21  1.0

K K K Th
K3Th crystallizes in the trigonal R3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one K(2), one K(3), and three equivalent Th(1) atoms. The K(1)-K(2) bond length is 3.51 Å. The K(1)-K(3) bond length is 3.03 Å. All K(1)-Th(1) bond lengths are 4.04 Å. In the second K site, K(2) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Th(1) atoms. All K(2)-Th(1) bond lengths are 4.04 Å. In the third K site, K(3) is bonded in a 2-coordinate geometry to one K(1) and four equivalent Th(1) atoms. There is one shorter (3.51 Å) and three longer (4.40 Å) K(3)-Th(1) bond lengths. Th(1) is bonded in a 10-coordinate geometry to three equivalent K(1), three equivalent K(2), and four equivalent K(3) atoms.