The material structure described by CsMg14HfO15 crystallizes in the orthorhombic Pmm2 space group. Cs(1) is bonded in a 4-coordinate geometry to two equivalent O(10) and two equivalent O(6) atoms. There are ten inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(8) atoms to form MgO5 square pyramids that share corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Mg(2)O5 trigonal bipyramids, edges with two equivalent Mg(10)O6 octahedra, edges with two equivalent Mg(7)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. In the second Mg site, Mg(2) is bonded to one O(3), two equivalent O(11), and two equivalent O(9) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Mg(2)O5 trigonal bipyramids, edges with two equivalent Mg(10)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, and edges with two equivalent Mg(8)O5 square pyramids. In the third Mg site, Mg(3) is bonded to one O(5), one O(6), one O(7), and two equivalent O(10) atoms to form distorted MgO5 square pyramids that share  a cornercorner with one Mg(4)O6 octahedra,  a cornercorner with one Mg(8)O5 square pyramid, corners with four equivalent Mg(3)O5 square pyramids,  an edgeedge with one Mg(7)O6 octahedra, edges with two equivalent Mg(10)O6 octahedra, and edges with two equivalent Hf(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the fourth Mg site, Mg(4) is bonded to one O(4), one O(5), one O(8), one O(9), and two equivalent O(11) atoms to form MgO6 octahedra that share corners with four equivalent Mg(4)O6 octahedra,  a cornercorner with one Mg(3)O5 square pyramid,  a cornercorner with one Mg(6)O4 trigonal pyramid,  an edgeedge with one Mg(7)O6 octahedra, edges with two equivalent Mg(10)O6 octahedra,  an edgeedge with one Mg(8)O5 square pyramid, edges with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-16°. In the fifth Mg site, Mg(5) is bonded in a T-shaped geometry to one O(8) and two equivalent O(4) atoms. In the sixth Mg site, Mg(6) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted MgO4 trigonal pyramids that share corners with two equivalent Mg(4)O6 octahedra, corners with two equivalent Hf(1)O5 trigonal bipyramids, and corners with two equivalent Mg(6)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 62°. In the seventh Mg site, Mg(7) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mg(7)O6 octahedra, corners with two equivalent Mg(8)O5 square pyramids, edges with two equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(10)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Mg(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 18°. In the eighth Mg site, Mg(8) is bonded to one O(9), two equivalent O(3), and two equivalent O(5) atoms to form MgO5 square pyramids that share corners with two equivalent Mg(7)O6 octahedra, corners with two equivalent Mg(3)O5 square pyramids, corners with two equivalent Mg(8)O5 square pyramids, edges with two equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(10)O6 octahedra, and edges with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 6°. In the ninth Mg site, Mg(9) is bonded in a distorted T-shaped geometry to one O(1), one O(11), and two equivalent O(4) atoms. In the tenth Mg site, Mg(10) is bonded to one O(10), one O(11), one O(2), one O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with four equivalent Mg(10)O6 octahedra,  a cornercorner with one Hf(1)O5 trigonal bipyramid, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O5 square pyramid, edges with two equivalent Mg(3)O5 square pyramids, edges with two equivalent Mg(8)O5 square pyramids, and  an edgeedge with one Mg(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-19°. Hf(1) is bonded to one O(1), two equivalent O(10), and two equivalent O(7) atoms to form HfO5 trigonal bipyramids that share corners with two equivalent Mg(10)O6 octahedra, corners with two equivalent Hf(1)O5 trigonal bipyramids, corners with two equivalent Mg(6)O4 trigonal pyramids, and edges with four equivalent Mg(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 54°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(6), two equivalent Mg(9), and one Hf(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(10), and two equivalent Mg(7) atoms to form OMg5 square pyramids that share corners with two equivalent O(2)Mg5 square pyramids, corners with two equivalent O(3)Mg5 square pyramids, corners with two equivalent O(6)Cs2Mg3 trigonal bipyramids, edges with two equivalent O(11)Mg6 octahedra, edges with two equivalent O(8)Mg6 octahedra, and edges with four equivalent O(5)Mg6 octahedra. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(10), and two equivalent Mg(8) atoms to form OMg5 square pyramids that share corners with two equivalent O(2)Mg5 square pyramids, corners with two equivalent O(3)Mg5 square pyramids, edges with two equivalent O(11)Mg6 octahedra, edges with four equivalent O(5)Mg6 octahedra, and edges with two equivalent O(9)Mg5 square pyramids. In the fourth O site, O(4) is bonded to one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(9) atoms to form OMg5 trigonal bipyramids that share  a cornercorner with one O(5)Mg6 octahedra,  a cornercorner with one O(9)Mg5 square pyramid, corners with four equivalent O(4)Mg5 trigonal bipyramids,  an edgeedge with one O(8)Mg6 octahedra, and edges with two equivalent O(11)Mg6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Mg(3), one Mg(4), one Mg(7), one Mg(8), and two equivalent Mg(10) atoms to form OMg6 octahedra that share corners with four equivalent O(5)Mg6 octahedra,  a cornercorner with one O(4)Mg5 trigonal bipyramid,  an edgeedge with one O(8)Mg6 octahedra, edges with two equivalent O(11)Mg6 octahedra,  an edgeedge with one O(9)Mg5 square pyramid, edges with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(3)Mg5 square pyramids, and  an edgeedge with one O(6)Cs2Mg3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-12°. In the sixth O site, O(6) is bonded to two equivalent Cs(1), one Mg(7), and two equivalent Mg(3) atoms to form distorted OCs2Mg3 trigonal bipyramids that share  a cornercorner with one O(8)Mg6 octahedra, corners with two equivalent O(2)Mg5 square pyramids, corners with two equivalent O(6)Cs2Mg3 trigonal bipyramids, and edges with two equivalent O(5)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Mg(3) and two equivalent Hf(1) atoms. In the eighth O site, O(8) is bonded to one Mg(5), one Mg(7), two equivalent Mg(1), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg6 octahedra, corners with two equivalent O(9)Mg5 square pyramids,  a cornercorner with one O(6)Cs2Mg3 trigonal bipyramid, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(11)Mg6 octahedra, edges with two equivalent O(2)Mg5 square pyramids, and edges with two equivalent O(4)Mg5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the ninth O site, O(9) is bonded to one Mg(8), two equivalent Mg(2), and two equivalent Mg(4) atoms to form OMg5 square pyramids that share corners with two equivalent O(8)Mg6 octahedra, corners with two equivalent O(9)Mg5 square pyramids, corners with two equivalent O(4)Mg5 trigonal bipyramids, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(11)Mg6 octahedra, and edges with two equivalent O(3)Mg5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Cs(1), one Mg(10), two equivalent Mg(3), and one Hf(1) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one Mg(10), one Mg(2), one Mg(9), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with four equivalent O(11)Mg6 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with two equivalent O(8)Mg6 octahedra,  an edgeedge with one O(2)Mg5 square pyramid,  an edgeedge with one O(3)Mg5 square pyramid, edges with two equivalent O(9)Mg5 square pyramids, and edges with two equivalent O(4)Mg5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-19°. is represented by the CIF card [CIF]
data_CsHfMg14O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.137
_cell_length_b   8.268
_cell_length_c   11.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.890
_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
  Cs  Cs0  1  0.000  0.000  0.927  1.0
  Hf  Hf1  1  0.000  0.500  0.994  1.0
  Mg  Mg2  1  0.000  0.000  0.464  1.0
  Mg  Mg3  1  0.000  0.500  0.455  1.0
  Mg  Mg4  1  0.500  0.763  0.090  1.0
  Mg  Mg5  1  0.500  0.237  0.090  1.0
  Mg  Mg6  1  0.500  0.742  0.482  1.0
  Mg  Mg7  1  0.500  0.258  0.482  1.0
  Mg  Mg8  1  0.500  0.000  0.658  1.0
  Mg  Mg9  1  0.500  0.500  0.750  1.0
  Mg  Mg10  1  0.500  0.000  0.265  1.0
  Mg  Mg11  1  0.500  0.500  0.284  1.0
  Mg  Mg12  1  0.000  0.748  0.666  1.0
  Mg  Mg13  1  0.000  0.252  0.666  1.0
  Mg  Mg14  1  0.000  0.750  0.264  1.0
  Mg  Mg15  1  0.000  0.250  0.264  1.0
  O  O16  1  0.000  0.500  0.817  1.0
  O  O17  1  0.000  0.000  0.293  1.0
  O  O18  1  0.000  0.500  0.283  1.0
  O  O19  1  0.500  0.731  0.673  1.0
  O  O20  1  0.500  0.269  0.673  1.0
  O  O21  1  0.500  0.747  0.266  1.0
  O  O22  1  0.500  0.253  0.266  1.0
  O  O23  1  0.500  0.000  0.088  1.0
  O  O24  1  0.500  0.500  0.026  1.0
  O  O25  1  0.500  0.000  0.481  1.0
  O  O26  1  0.500  0.500  0.458  1.0
  O  O27  1  0.000  0.714  0.075  1.0
  O  O28  1  0.000  0.286  0.075  1.0
  O  O29  1  0.000  0.745  0.485  1.0
  O  O30  1  0.000  0.255  0.485  1.0
[/CIF]
.
The material structure described by CsMg14HfO15 crystallizes in the orthorhombic Pmm2 space group. Cs(1) is bonded in a 4-coordinate geometry to two equivalent O(10) and two equivalent O(6) atoms. There are ten inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(8) atoms to form MgO5 square pyramids that share corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Mg(2)O5 trigonal bipyramids, edges with two equivalent Mg(10)O6 octahedra, edges with two equivalent Mg(7)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. In the second Mg site, Mg(2) is bonded to one O(3), two equivalent O(11), and two equivalent O(9) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Mg(2)O5 trigonal bipyramids, edges with two equivalent Mg(10)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, and edges with two equivalent Mg(8)O5 square pyramids. In the third Mg site, Mg(3) is bonded to one O(5), one O(6), one O(7), and two equivalent O(10) atoms to form distorted MgO5 square pyramids that share  a cornercorner with one Mg(4)O6 octahedra,  a cornercorner with one Mg(8)O5 square pyramid, corners with four equivalent Mg(3)O5 square pyramids,  an edgeedge with one Mg(7)O6 octahedra, edges with two equivalent Mg(10)O6 octahedra, and edges with two equivalent Hf(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the fourth Mg site, Mg(4) is bonded to one O(4), one O(5), one O(8), one O(9), and two equivalent O(11) atoms to form MgO6 octahedra that share corners with four equivalent Mg(4)O6 octahedra,  a cornercorner with one Mg(3)O5 square pyramid,  a cornercorner with one Mg(6)O4 trigonal pyramid,  an edgeedge with one Mg(7)O6 octahedra, edges with two equivalent Mg(10)O6 octahedra,  an edgeedge with one Mg(8)O5 square pyramid, edges with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-16°. In the fifth Mg site, Mg(5) is bonded in a T-shaped geometry to one O(8) and two equivalent O(4) atoms. In the sixth Mg site, Mg(6) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted MgO4 trigonal pyramids that share corners with two equivalent Mg(4)O6 octahedra, corners with two equivalent Hf(1)O5 trigonal bipyramids, and corners with two equivalent Mg(6)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 62°. In the seventh Mg site, Mg(7) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mg(7)O6 octahedra, corners with two equivalent Mg(8)O5 square pyramids, edges with two equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(10)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Mg(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 18°. In the eighth Mg site, Mg(8) is bonded to one O(9), two equivalent O(3), and two equivalent O(5) atoms to form MgO5 square pyramids that share corners with two equivalent Mg(7)O6 octahedra, corners with two equivalent Mg(3)O5 square pyramids, corners with two equivalent Mg(8)O5 square pyramids, edges with two equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(10)O6 octahedra, and edges with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 6°. In the ninth Mg site, Mg(9) is bonded in a distorted T-shaped geometry to one O(1), one O(11), and two equivalent O(4) atoms. In the tenth Mg site, Mg(10) is bonded to one O(10), one O(11), one O(2), one O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with four equivalent Mg(10)O6 octahedra,  a cornercorner with one Hf(1)O5 trigonal bipyramid, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O5 square pyramid, edges with two equivalent Mg(3)O5 square pyramids, edges with two equivalent Mg(8)O5 square pyramids, and  an edgeedge with one Mg(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-19°. Hf(1) is bonded to one O(1), two equivalent O(10), and two equivalent O(7) atoms to form HfO5 trigonal bipyramids that share corners with two equivalent Mg(10)O6 octahedra, corners with two equivalent Hf(1)O5 trigonal bipyramids, corners with two equivalent Mg(6)O4 trigonal pyramids, and edges with four equivalent Mg(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 54°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(6), two equivalent Mg(9), and one Hf(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(10), and two equivalent Mg(7) atoms to form OMg5 square pyramids that share corners with two equivalent O(2)Mg5 square pyramids, corners with two equivalent O(3)Mg5 square pyramids, corners with two equivalent O(6)Cs2Mg3 trigonal bipyramids, edges with two equivalent O(11)Mg6 octahedra, edges with two equivalent O(8)Mg6 octahedra, and edges with four equivalent O(5)Mg6 octahedra. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(10), and two equivalent Mg(8) atoms to form OMg5 square pyramids that share corners with two equivalent O(2)Mg5 square pyramids, corners with two equivalent O(3)Mg5 square pyramids, edges with two equivalent O(11)Mg6 octahedra, edges with four equivalent O(5)Mg6 octahedra, and edges with two equivalent O(9)Mg5 square pyramids. In the fourth O site, O(4) is bonded to one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(9) atoms to form OMg5 trigonal bipyramids that share  a cornercorner with one O(5)Mg6 octahedra,  a cornercorner with one O(9)Mg5 square pyramid, corners with four equivalent O(4)Mg5 trigonal bipyramids,  an edgeedge with one O(8)Mg6 octahedra, and edges with two equivalent O(11)Mg6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Mg(3), one Mg(4), one Mg(7), one Mg(8), and two equivalent Mg(10) atoms to form OMg6 octahedra that share corners with four equivalent O(5)Mg6 octahedra,  a cornercorner with one O(4)Mg5 trigonal bipyramid,  an edgeedge with one O(8)Mg6 octahedra, edges with two equivalent O(11)Mg6 octahedra,  an edgeedge with one O(9)Mg5 square pyramid, edges with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(3)Mg5 square pyramids, and  an edgeedge with one O(6)Cs2Mg3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-12°. In the sixth O site, O(6) is bonded to two equivalent Cs(1), one Mg(7), and two equivalent Mg(3) atoms to form distorted OCs2Mg3 trigonal bipyramids that share  a cornercorner with one O(8)Mg6 octahedra, corners with two equivalent O(2)Mg5 square pyramids, corners with two equivalent O(6)Cs2Mg3 trigonal bipyramids, and edges with two equivalent O(5)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Mg(3) and two equivalent Hf(1) atoms. In the eighth O site, O(8) is bonded to one Mg(5), one Mg(7), two equivalent Mg(1), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg6 octahedra, corners with two equivalent O(9)Mg5 square pyramids,  a cornercorner with one O(6)Cs2Mg3 trigonal bipyramid, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(11)Mg6 octahedra, edges with two equivalent O(2)Mg5 square pyramids, and edges with two equivalent O(4)Mg5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the ninth O site, O(9) is bonded to one Mg(8), two equivalent Mg(2), and two equivalent Mg(4) atoms to form OMg5 square pyramids that share corners with two equivalent O(8)Mg6 octahedra, corners with two equivalent O(9)Mg5 square pyramids, corners with two equivalent O(4)Mg5 trigonal bipyramids, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(11)Mg6 octahedra, and edges with two equivalent O(3)Mg5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Cs(1), one Mg(10), two equivalent Mg(3), and one Hf(1) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one Mg(10), one Mg(2), one Mg(9), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with four equivalent O(11)Mg6 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with two equivalent O(8)Mg6 octahedra,  an edgeedge with one O(2)Mg5 square pyramid,  an edgeedge with one O(3)Mg5 square pyramid, edges with two equivalent O(9)Mg5 square pyramids, and edges with two equivalent O(4)Mg5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-19°. is represented by the CIF card [CIF]
data_CsHfMg14O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.137
_cell_length_b   8.268
_cell_length_c   11.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.890
_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
  Cs  Cs0  1  0.000  0.000  0.927  1.0
  Hf  Hf1  1  0.000  0.500  0.994  1.0
  Mg  Mg2  1  0.000  0.000  0.464  1.0
  Mg  Mg3  1  0.000  0.500  0.455  1.0
  Mg  Mg4  1  0.500  0.763  0.090  1.0
  Mg  Mg5  1  0.500  0.237  0.090  1.0
  Mg  Mg6  1  0.500  0.742  0.482  1.0
  Mg  Mg7  1  0.500  0.258  0.482  1.0
  Mg  Mg8  1  0.500  0.000  0.658  1.0
  Mg  Mg9  1  0.500  0.500  0.750  1.0
  Mg  Mg10  1  0.500  0.000  0.265  1.0
  Mg  Mg11  1  0.500  0.500  0.284  1.0
  Mg  Mg12  1  0.000  0.748  0.666  1.0
  Mg  Mg13  1  0.000  0.252  0.666  1.0
  Mg  Mg14  1  0.000  0.750  0.264  1.0
  Mg  Mg15  1  0.000  0.250  0.264  1.0
  O  O16  1  0.000  0.500  0.817  1.0
  O  O17  1  0.000  0.000  0.293  1.0
  O  O18  1  0.000  0.500  0.283  1.0
  O  O19  1  0.500  0.731  0.673  1.0
  O  O20  1  0.500  0.269  0.673  1.0
  O  O21  1  0.500  0.747  0.266  1.0
  O  O22  1  0.500  0.253  0.266  1.0
  O  O23  1  0.500  0.000  0.088  1.0
  O  O24  1  0.500  0.500  0.026  1.0
  O  O25  1  0.500  0.000  0.481  1.0
  O  O26  1  0.500  0.500  0.458  1.0
  O  O27  1  0.000  0.714  0.075  1.0
  O  O28  1  0.000  0.286  0.075  1.0
  O  O29  1  0.000  0.745  0.485  1.0
  O  O30  1  0.000  0.255  0.485  1.0
[/CIF]
.