data_Ho6Fe16O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   8.14
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho6Fe16O
_chemical_formula_sum   'Ho6 Fe16 O1'
_cell_volume   415.55
_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
  Ho  Ho0  1  0.0  0.0  0.93  1.0
  Ho  Ho1  1  0.0  0.47  0.0  1.0
  Ho  Ho2  1  0.0  0.93  0.0  1.0
  Ho  Ho3  1  0.93  0.0  0.0  1.0
  Ho  Ho4  1  0.47  0.0  0.0  1.0
  Ho  Ho5  1  0.0  0.0  0.47  1.0
  Fe  Fe6  1  0.35  0.65  0.35  1.0
  Fe  Fe7  1  0.65  0.35  0.35  1.0
  Fe  Fe8  1  0.35  0.35  0.65  1.0
  Fe  Fe9  1  0.35  0.35  0.35  1.0
  Fe  Fe10  1  0.17  0.17  0.0  1.0
  Fe  Fe11  1  0.53  0.53  0.7  1.0
  Fe  Fe12  1  0.7  0.53  0.47  1.0
  Fe  Fe13  1  0.7  0.53  0.53  1.0
  Fe  Fe14  1  0.53  0.7  0.53  1.0
  Fe  Fe15  1  0.53  0.7  0.47  1.0
  Fe  Fe16  1  0.47  0.53  0.7  1.0
  Fe  Fe17  1  0.53  0.47  0.7  1.0
  Fe  Fe18  1  0.17  0.0  0.17  1.0
  Fe  Fe19  1  0.7  0.47  0.53  1.0
  Fe  Fe20  1  0.47  0.7  0.53  1.0
  Fe  Fe21  1  0.0  0.17  0.17  1.0
  O  O22  1  0.0  0.0  0.0  1.0

data_Ho6Fe16O
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.3
_cell_length_b   13.3
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho6Fe16O
_chemical_formula_sum   'Ho18 Fe48 O3'
_cell_volume   1246.65
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Ho  Ho0  9  0.02  0.05  0.98  1.0
  Ho  Ho1  9  0.18  0.35  0.82  1.0
  Fe  Fe2  18  0.13  0.04  0.57  1.0
  Fe  Fe3  9  0.06  0.12  0.12  1.0
  Fe  Fe4  9  0.12  0.06  0.58  1.0
  Fe  Fe5  9  0.2  0.1  0.45  1.0
  Fe  Fe6  3  0.0  0.0  0.35  1.0
  O  O7  3  0.0  0.0  0.0  1.0

Ho Ho Ho Ho Ho Ho Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe O
Ho Ho Ho Ho Ho Ho Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe O 0 22 o o + 0 1 o o + 0 4 o o + 0 5 o o o 0 10 o o + 1 18 o + o 1 2 o o o 1 19 - o - 1 17 - o - 1 22 o o o 1 10 o o o 1 21 o o o 1 3 - o o 1 6 o o o 2 22 o + o 2 4 o + o 2 5 o + o 2 18 o + o 3 22 + o o 3 4 o o o 3 5 + o o 3 21 + o o 4 22 o o o 4 18 o o o 4 10 o o o 4 20 o - - 4 16 o - - 4 21 + o o 4 7 o o o 5 15 - - o 5 12 - - o 5 21 o o o 5 22 o o o 5 18 o o o 5 8 o o o 5 10 o o + 6 20 o o o 6 15 o o o 6 14 o o o 6 9 o o o 7 19 o o o 7 13 o o o 7 12 o o o 7 9 o o o 8 17 o o o 8 16 o o o 8 11 o o o 8 9 o o o 9 18 o o o 9 10 o o o 9 21 o o o 9 20 o o o 9 15 o o o 9 12 o o o 9 19 o o o 9 17 o o o 9 16 o o o 9 14 o o o 9 13 o o o 9 11 o o o 10 22 o o o 11 16 o o o 11 17 o o o 12 13 o o o 13 19 o o o 14 20 o o o 14 15 o o o 18 22 o o o 21 22 o o o 
Ho6Fe16O crystallizes in the trigonal R3m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a single-bond geometry to one Fe(3) and one O(1) atom. The Ho(1)-Fe(3) bond length is 1.40 Å. The Ho(1)-O(1) bond length is 0.55 Å. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one Fe(1), two equivalent Fe(5), and three equivalent Fe(3) atoms. The Ho(2)-Fe(1) bond length is 2.73 Å. Both Ho(2)-Fe(5) bond lengths are 3.83 Å. There are two shorter (3.17 Å) and one longer (3.63 Å) Ho(2)-Fe(3) bond length. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Ho(2), one Fe(2), and two equivalent Fe(5) atoms. The Fe(1)-Fe(2) bond length is 2.43 Å. Both Fe(1)-Fe(5) bond lengths are 1.26 Å. In the second Fe site, Fe(2) is bonded in a 15-coordinate geometry to three equivalent Fe(1), three equivalent Fe(3), three equivalent Fe(4), and six equivalent Fe(5) atoms. All Fe(2)-Fe(3) bond lengths are 2.33 Å. All Fe(2)-Fe(4) bond lengths are 2.33 Å. All Fe(2)-Fe(5) bond lengths are 2.37 Å. In the third Fe site, Fe(3) is bonded in a distorted single-bond geometry to one Ho(1), three equivalent Ho(2), and one Fe(2) atom. In the fourth Fe site, Fe(4) is bonded in a water-like geometry to one Fe(2) and two equivalent Fe(5) atoms. Both Fe(4)-Fe(5) bond lengths are 0.43 Å. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Ho(2), one Fe(1), one Fe(2), and one Fe(4) atom. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ho(1) atoms.