data_K2HoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HoO4
_chemical_formula_sum   'K4 Ho2 O8'
_cell_volume   299.17
_cell_formula_units_Z   2
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  K2  1  0.98  0.98  0.64  1.0
  K  K3  1  0.98  0.64  0.98  1.0
  K  K4  1  0.64  0.98  0.98  1.0
  K  K5  1  0.64  0.64  0.64  1.0
  Ho  Ho0  1  0.0  0.0  0.0  1.0
  Ho  Ho1  1  0.65  0.65  0.65  1.0
  O  O6  1  0.89  0.89  0.89  1.0
  O  O7  1  0.89  0.73  0.73  1.0
  O  O8  1  0.73  0.89  0.73  1.0
  O  O9  1  0.54  0.54  0.38  1.0
  O  O10  1  0.73  0.73  0.89  1.0
  O  O11  1  0.54  0.38  0.54  1.0
  O  O12  1  0.38  0.38  0.38  1.0
  O  O13  1  0.38  0.54  0.54  1.0

data_K2HoO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   18.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2HoO4
_chemical_formula_sum   'K12 Ho6 O24'
_cell_volume   897.5
_cell_formula_units_Z   6
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  9  0.22  0.44  0.8  1.0
  K  K1  3  0.0  0.0  0.36  1.0
  Ho  Ho2  3  0.0  0.0  0.0  1.0
  Ho  Ho3  3  0.0  0.0  0.35  1.0
  O  O4  9  0.05  0.1  0.22  1.0
  O  O5  9  0.1  0.05  0.51  1.0
  O  O6  3  0.0  0.0  0.11  1.0
  O  O7  3  0.0  0.0  0.62  1.0

K K K K Ho Ho O O O O O O O O
K K K K Ho Ho O O O O O O O O 0 6 o o o 1 6 o o o 2 6 o o o 3 5 o o o 4 6 - - - 7 10 o o o 7 8 o o o 8 10 o o o 9 11 o o o 9 13 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 
K2HoO4 crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted single-bond geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. The K(1)-O(1) bond length is 1.55 Å. Both K(1)-O(2) bond lengths are 2.02 Å. Both K(1)-O(3) bond lengths are 3.28 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Ho(2) and three equivalent O(3) atoms. The K(2)-Ho(2) bond length is 0.34 Å. All K(2)-O(3) bond lengths are 2.78 Å. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a single-bond geometry to one O(1) atom. The Ho(1)-O(1) bond length is 2.08 Å. In the second Ho site, Ho(2) is bonded in a distorted single-bond geometry to one K(2) and three equivalent O(2) atoms. All Ho(2)-O(2) bond lengths are 2.45 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to three equivalent K(1) and one Ho(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ho(2), and two equivalent O(2) atoms. Both O(2)-O(2) bond lengths are 1.18 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one O(4), and two equivalent O(3) atoms. The O(3)-O(4) bond length is 2.04 Å. Both O(3)-O(3) bond lengths are 1.18 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms.