The structure described by Ce4(HoS2)11 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(9), two equivalent S(8), and three equivalent S(11) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(4)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, and edges with four equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-50°. In the second Ho site, Ho(2) is bonded to one S(4), one S(7), two equivalent S(1), and two equivalent S(10) atoms to form a mixture of corner and edge-sharing HoS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the third Ho site, Ho(3) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(9) atoms to form HoS6 octahedra that share corners with three equivalent Ho(4)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Ho(3)S6 octahedra, and edges with two equivalent Ho(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the fourth Ho site, Ho(4) is bonded to one S(11), two equivalent S(2), and three equivalent S(3) atoms to form HoS6 octahedra that share corners with three equivalent Ho(3)S6 octahedra,  a cornercorner with one Ho(1)S7 pentagonal bipyramid, edges with four equivalent Ho(4)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 53-62°. In the fifth Ho site, Ho(5) is bonded to one S(10), one S(5), two equivalent S(4), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing HoS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the sixth Ho site, Ho(6) is bonded to two equivalent S(10) and four equivalent S(7) atoms to form a mixture of corner and edge-sharing HoS6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one S(1), one S(9), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one S(4), one S(8), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ho(2), one Ce(1), and two equivalent Ce(2) atoms to form distorted SCe3Ho2 trigonal bipyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(2)Ce2Ho3 trigonal bipyramids,  a cornercorner with one S(9)CeHo3 trigonal pyramid, corners with two equivalent S(10)Ho4 trigonal pyramids,  an edgeedge with one S(5)Ce2Ho3 square pyramid, edges with two equivalent S(7)Ce2Ho3 square pyramids,  an edgeedge with one S(2)Ce2Ho3 trigonal bipyramid, edges with two equivalent S(1)Ce3Ho2 trigonal bipyramids, edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids, and  an edgeedge with one S(10)Ho4 trigonal pyramid. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(4), and two equivalent Ce(2) atoms to form SCe2Ho3 trigonal bipyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids,  a cornercorner with one S(9)CeHo3 trigonal pyramid,  a cornercorner with one S(11)Ho4 trigonal pyramid,  an edgeedge with one S(5)Ce2Ho3 square pyramid,  an edgeedge with one S(1)Ce3Ho2 trigonal bipyramid, edges with two equivalent S(2)Ce2Ho3 trigonal bipyramids, edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids, and edges with two equivalent S(11)Ho4 trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ho(3) and three equivalent Ho(4) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ho(2), two equivalent Ho(5), and one Ce(2) atom. In the fifth S site, S(5) is bonded to one Ho(5), two equivalent Ho(3), and two equivalent Ce(2) atoms to form SCe2Ho3 square pyramids that share corners with two equivalent S(2)Ce2Ho3 trigonal bipyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(8)Ce3Ho2 trigonal bipyramids,  a cornercorner with one S(10)Ho4 trigonal pyramid, corners with two equivalent S(9)CeHo3 trigonal pyramids, edges with two equivalent S(5)Ce2Ho3 square pyramids, edges with two equivalent S(6)Ce2Ho3 square pyramids,  an edgeedge with one S(2)Ce2Ho3 trigonal bipyramid,  an edgeedge with one S(1)Ce3Ho2 trigonal bipyramid, and  an edgeedge with one S(9)CeHo3 trigonal pyramid. In the sixth S site, S(6) is bonded to one Ho(3), two equivalent Ho(5), and two equivalent Ce(1) atoms to form SCe2Ho3 square pyramids that share corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(8)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(10)Ho4 trigonal pyramids,  an edgeedge with one S(7)Ce2Ho3 square pyramid, edges with two equivalent S(5)Ce2Ho3 square pyramids, edges with two equivalent S(6)Ce2Ho3 square pyramids,  an edgeedge with one S(8)Ce3Ho2 trigonal bipyramid, and edges with two equivalent S(9)CeHo3 trigonal pyramids. In the seventh S site, S(7) is bonded to one Ho(2), two equivalent Ho(6), and two equivalent Ce(1) atoms to form SCe2Ho3 square pyramids that share corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with two equivalent S(8)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(9)CeHo3 trigonal pyramids, corners with two equivalent S(10)Ho4 trigonal pyramids,  an edgeedge with one S(6)Ce2Ho3 square pyramid, edges with three equivalent S(7)Ce2Ho3 square pyramids,  an edgeedge with one S(8)Ce3Ho2 trigonal bipyramid, edges with two equivalent S(1)Ce3Ho2 trigonal bipyramids, and edges with two equivalent S(10)Ho4 trigonal pyramids. In the eighth S site, S(8) is bonded to two equivalent Ho(1), one Ce(2), and two equivalent Ce(1) atoms to form distorted SCe3Ho2 trigonal bipyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with four equivalent S(11)Ho4 trigonal pyramids,  an edgeedge with one S(6)Ce2Ho3 square pyramid,  an edgeedge with one S(7)Ce2Ho3 square pyramid, edges with two equivalent S(2)Ce2Ho3 trigonal bipyramids, edges with two equivalent S(1)Ce3Ho2 trigonal bipyramids, edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids,  an edgeedge with one S(11)Ho4 trigonal pyramid, and edges with two equivalent S(9)CeHo3 trigonal pyramids. In the ninth S site, S(9) is bonded to one Ho(1), two equivalent Ho(3), and one Ce(1) atom to form SCeHo3 trigonal pyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids,  a cornercorner with one S(2)Ce2Ho3 trigonal bipyramid,  a cornercorner with one S(1)Ce3Ho2 trigonal bipyramid, corners with two equivalent S(9)CeHo3 trigonal pyramids, corners with three equivalent S(11)Ho4 trigonal pyramids,  an edgeedge with one S(5)Ce2Ho3 square pyramid, edges with two equivalent S(6)Ce2Ho3 square pyramids, and edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids. In the tenth S site, S(10) is bonded to one Ho(5), one Ho(6), and two equivalent Ho(2) atoms to form distorted SHo4 trigonal pyramids that share  a cornercorner with one S(5)Ce2Ho3 square pyramid, corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids, corners with three equivalent S(10)Ho4 trigonal pyramids, edges with two equivalent S(7)Ce2Ho3 square pyramids, and  an edgeedge with one S(1)Ce3Ho2 trigonal bipyramid. In the eleventh S site, S(11) is bonded to one Ho(4) and three equivalent Ho(1) atoms to form distorted SHo4 trigonal pyramids that share  a cornercorner with one S(2)Ce2Ho3 trigonal bipyramid, corners with four equivalent S(8)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(11)Ho4 trigonal pyramids, corners with three equivalent S(9)CeHo3 trigonal pyramids,  an edgeedge with one S(8)Ce3Ho2 trigonal bipyramid, edges with two equivalent S(2)Ce2Ho3 trigonal bipyramids, and edges with two equivalent S(11)Ho4 trigonal pyramids. is represented by the CIF card [CIF]
data_Ce4(HoS2)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.745
_cell_length_b   19.745
_cell_length_c   11.372
_cell_angle_alpha   88.263
_cell_angle_beta   88.263
_cell_angle_gamma   11.492
_symmetry_Int_Tables_number   1
_cell_volume   882.878
_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
  Ce  Ce0  1  0.104  0.104  0.988  1.0
  Ce  Ce1  1  0.896  0.896  0.012  1.0
  Ce  Ce2  1  0.369  0.369  0.651  1.0
  Ce  Ce3  1  0.631  0.631  0.349  1.0
  Ho  Ho4  1  0.798  0.798  0.941  1.0
  Ho  Ho5  1  0.202  0.202  0.059  1.0
  Ho  Ho6  1  0.462  0.462  0.730  1.0
  Ho  Ho7  1  0.538  0.538  0.270  1.0
  Ho  Ho8  1  0.658  0.658  0.699  1.0
  Ho  Ho9  1  0.342  0.342  0.301  1.0
  Ho  Ho10  1  0.265  0.265  0.648  1.0
  Ho  Ho11  1  0.735  0.735  0.352  1.0
  Ho  Ho12  1  0.070  0.070  0.640  1.0
  Ho  Ho13  1  0.930  0.930  0.360  1.0
  Ho  Ho14  1  0.000  0.000  0.000  1.0
  S  S15  1  0.087  0.087  0.247  1.0
  S  S16  1  0.913  0.913  0.753  1.0
  S  S17  1  0.187  0.187  0.309  1.0
  S  S18  1  0.813  0.813  0.691  1.0
  S  S19  1  0.279  0.279  0.408  1.0
  S  S20  1  0.721  0.721  0.592  1.0
  S  S21  1  0.445  0.445  0.506  1.0
  S  S22  1  0.555  0.555  0.494  1.0
  S  S23  1  0.135  0.135  0.548  1.0
  S  S24  1  0.865  0.865  0.452  1.0
  S  S25  1  0.593  0.593  0.789  1.0
  S  S26  1  0.407  0.407  0.211  1.0
  S  S27  1  0.453  0.453  0.970  1.0
  S  S28  1  0.547  0.547  0.030  1.0
  S  S29  1  0.351  0.351  0.910  1.0
  S  S30  1  0.649  0.649  0.090  1.0
  S  S31  1  0.169  0.169  0.849  1.0
  S  S32  1  0.831  0.831  0.151  1.0
  S  S33  1  0.008  0.008  0.760  1.0
  S  S34  1  0.992  0.992  0.240  1.0
  S  S35  1  0.255  0.255  0.881  1.0
  S  S36  1  0.745  0.745  0.119  1.0
[/CIF]
.
The structure described by Ce4(HoS2)11 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(9), two equivalent S(8), and three equivalent S(11) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(4)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, and edges with four equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-50°. In the second Ho site, Ho(2) is bonded to one S(4), one S(7), two equivalent S(1), and two equivalent S(10) atoms to form a mixture of corner and edge-sharing HoS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the third Ho site, Ho(3) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(9) atoms to form HoS6 octahedra that share corners with three equivalent Ho(4)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Ho(3)S6 octahedra, and edges with two equivalent Ho(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the fourth Ho site, Ho(4) is bonded to one S(11), two equivalent S(2), and three equivalent S(3) atoms to form HoS6 octahedra that share corners with three equivalent Ho(3)S6 octahedra,  a cornercorner with one Ho(1)S7 pentagonal bipyramid, edges with four equivalent Ho(4)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 53-62°. In the fifth Ho site, Ho(5) is bonded to one S(10), one S(5), two equivalent S(4), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing HoS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the sixth Ho site, Ho(6) is bonded to two equivalent S(10) and four equivalent S(7) atoms to form a mixture of corner and edge-sharing HoS6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one S(1), one S(9), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one S(4), one S(8), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ho(2), one Ce(1), and two equivalent Ce(2) atoms to form distorted SCe3Ho2 trigonal bipyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(2)Ce2Ho3 trigonal bipyramids,  a cornercorner with one S(9)CeHo3 trigonal pyramid, corners with two equivalent S(10)Ho4 trigonal pyramids,  an edgeedge with one S(5)Ce2Ho3 square pyramid, edges with two equivalent S(7)Ce2Ho3 square pyramids,  an edgeedge with one S(2)Ce2Ho3 trigonal bipyramid, edges with two equivalent S(1)Ce3Ho2 trigonal bipyramids, edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids, and  an edgeedge with one S(10)Ho4 trigonal pyramid. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(4), and two equivalent Ce(2) atoms to form SCe2Ho3 trigonal bipyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids,  a cornercorner with one S(9)CeHo3 trigonal pyramid,  a cornercorner with one S(11)Ho4 trigonal pyramid,  an edgeedge with one S(5)Ce2Ho3 square pyramid,  an edgeedge with one S(1)Ce3Ho2 trigonal bipyramid, edges with two equivalent S(2)Ce2Ho3 trigonal bipyramids, edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids, and edges with two equivalent S(11)Ho4 trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ho(3) and three equivalent Ho(4) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ho(2), two equivalent Ho(5), and one Ce(2) atom. In the fifth S site, S(5) is bonded to one Ho(5), two equivalent Ho(3), and two equivalent Ce(2) atoms to form SCe2Ho3 square pyramids that share corners with two equivalent S(2)Ce2Ho3 trigonal bipyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(8)Ce3Ho2 trigonal bipyramids,  a cornercorner with one S(10)Ho4 trigonal pyramid, corners with two equivalent S(9)CeHo3 trigonal pyramids, edges with two equivalent S(5)Ce2Ho3 square pyramids, edges with two equivalent S(6)Ce2Ho3 square pyramids,  an edgeedge with one S(2)Ce2Ho3 trigonal bipyramid,  an edgeedge with one S(1)Ce3Ho2 trigonal bipyramid, and  an edgeedge with one S(9)CeHo3 trigonal pyramid. In the sixth S site, S(6) is bonded to one Ho(3), two equivalent Ho(5), and two equivalent Ce(1) atoms to form SCe2Ho3 square pyramids that share corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(8)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(10)Ho4 trigonal pyramids,  an edgeedge with one S(7)Ce2Ho3 square pyramid, edges with two equivalent S(5)Ce2Ho3 square pyramids, edges with two equivalent S(6)Ce2Ho3 square pyramids,  an edgeedge with one S(8)Ce3Ho2 trigonal bipyramid, and edges with two equivalent S(9)CeHo3 trigonal pyramids. In the seventh S site, S(7) is bonded to one Ho(2), two equivalent Ho(6), and two equivalent Ce(1) atoms to form SCe2Ho3 square pyramids that share corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with two equivalent S(8)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(9)CeHo3 trigonal pyramids, corners with two equivalent S(10)Ho4 trigonal pyramids,  an edgeedge with one S(6)Ce2Ho3 square pyramid, edges with three equivalent S(7)Ce2Ho3 square pyramids,  an edgeedge with one S(8)Ce3Ho2 trigonal bipyramid, edges with two equivalent S(1)Ce3Ho2 trigonal bipyramids, and edges with two equivalent S(10)Ho4 trigonal pyramids. In the eighth S site, S(8) is bonded to two equivalent Ho(1), one Ce(2), and two equivalent Ce(1) atoms to form distorted SCe3Ho2 trigonal bipyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with four equivalent S(11)Ho4 trigonal pyramids,  an edgeedge with one S(6)Ce2Ho3 square pyramid,  an edgeedge with one S(7)Ce2Ho3 square pyramid, edges with two equivalent S(2)Ce2Ho3 trigonal bipyramids, edges with two equivalent S(1)Ce3Ho2 trigonal bipyramids, edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids,  an edgeedge with one S(11)Ho4 trigonal pyramid, and edges with two equivalent S(9)CeHo3 trigonal pyramids. In the ninth S site, S(9) is bonded to one Ho(1), two equivalent Ho(3), and one Ce(1) atom to form SCeHo3 trigonal pyramids that share corners with two equivalent S(5)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids,  a cornercorner with one S(2)Ce2Ho3 trigonal bipyramid,  a cornercorner with one S(1)Ce3Ho2 trigonal bipyramid, corners with two equivalent S(9)CeHo3 trigonal pyramids, corners with three equivalent S(11)Ho4 trigonal pyramids,  an edgeedge with one S(5)Ce2Ho3 square pyramid, edges with two equivalent S(6)Ce2Ho3 square pyramids, and edges with two equivalent S(8)Ce3Ho2 trigonal bipyramids. In the tenth S site, S(10) is bonded to one Ho(5), one Ho(6), and two equivalent Ho(2) atoms to form distorted SHo4 trigonal pyramids that share  a cornercorner with one S(5)Ce2Ho3 square pyramid, corners with two equivalent S(6)Ce2Ho3 square pyramids, corners with two equivalent S(7)Ce2Ho3 square pyramids, corners with two equivalent S(1)Ce3Ho2 trigonal bipyramids, corners with three equivalent S(10)Ho4 trigonal pyramids, edges with two equivalent S(7)Ce2Ho3 square pyramids, and  an edgeedge with one S(1)Ce3Ho2 trigonal bipyramid. In the eleventh S site, S(11) is bonded to one Ho(4) and three equivalent Ho(1) atoms to form distorted SHo4 trigonal pyramids that share  a cornercorner with one S(2)Ce2Ho3 trigonal bipyramid, corners with four equivalent S(8)Ce3Ho2 trigonal bipyramids, corners with two equivalent S(11)Ho4 trigonal pyramids, corners with three equivalent S(9)CeHo3 trigonal pyramids,  an edgeedge with one S(8)Ce3Ho2 trigonal bipyramid, edges with two equivalent S(2)Ce2Ho3 trigonal bipyramids, and edges with two equivalent S(11)Ho4 trigonal pyramids. is represented by the CIF card [CIF]
data_Ce4(HoS2)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.745
_cell_length_b   19.745
_cell_length_c   11.372
_cell_angle_alpha   88.263
_cell_angle_beta   88.263
_cell_angle_gamma   11.492
_symmetry_Int_Tables_number   1
_cell_volume   882.878
_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
  Ce  Ce0  1  0.104  0.104  0.988  1.0
  Ce  Ce1  1  0.896  0.896  0.012  1.0
  Ce  Ce2  1  0.369  0.369  0.651  1.0
  Ce  Ce3  1  0.631  0.631  0.349  1.0
  Ho  Ho4  1  0.798  0.798  0.941  1.0
  Ho  Ho5  1  0.202  0.202  0.059  1.0
  Ho  Ho6  1  0.462  0.462  0.730  1.0
  Ho  Ho7  1  0.538  0.538  0.270  1.0
  Ho  Ho8  1  0.658  0.658  0.699  1.0
  Ho  Ho9  1  0.342  0.342  0.301  1.0
  Ho  Ho10  1  0.265  0.265  0.648  1.0
  Ho  Ho11  1  0.735  0.735  0.352  1.0
  Ho  Ho12  1  0.070  0.070  0.640  1.0
  Ho  Ho13  1  0.930  0.930  0.360  1.0
  Ho  Ho14  1  0.000  0.000  0.000  1.0
  S  S15  1  0.087  0.087  0.247  1.0
  S  S16  1  0.913  0.913  0.753  1.0
  S  S17  1  0.187  0.187  0.309  1.0
  S  S18  1  0.813  0.813  0.691  1.0
  S  S19  1  0.279  0.279  0.408  1.0
  S  S20  1  0.721  0.721  0.592  1.0
  S  S21  1  0.445  0.445  0.506  1.0
  S  S22  1  0.555  0.555  0.494  1.0
  S  S23  1  0.135  0.135  0.548  1.0
  S  S24  1  0.865  0.865  0.452  1.0
  S  S25  1  0.593  0.593  0.789  1.0
  S  S26  1  0.407  0.407  0.211  1.0
  S  S27  1  0.453  0.453  0.970  1.0
  S  S28  1  0.547  0.547  0.030  1.0
  S  S29  1  0.351  0.351  0.910  1.0
  S  S30  1  0.649  0.649  0.090  1.0
  S  S31  1  0.169  0.169  0.849  1.0
  S  S32  1  0.831  0.831  0.151  1.0
  S  S33  1  0.008  0.008  0.760  1.0
  S  S34  1  0.992  0.992  0.240  1.0
  S  S35  1  0.255  0.255  0.881  1.0
  S  S36  1  0.745  0.745  0.119  1.0
[/CIF]
.