The material structure described by Li4Fe3Co3(TeO8)2 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-68°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Te site, Te(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Co(3), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(2), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OLiFeCo2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), one Co(1), and one Co(2) atom to form corner-sharing OLiFeCo2 tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), one Fe(2), one Fe(3), and one Co(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(3), one Co(3), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(3), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(3), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(3), one Co(3), and one Te(2) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(2), one Fe(3), and one Co(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Co(1), and one Te(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one Te(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Co(2), and one Te(2) atom. is represented by the CIF card [CIF]
data_Li4Fe3Co3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   5.981
_cell_length_c   9.763
_cell_angle_alpha   90.618
_cell_angle_beta   90.115
_cell_angle_gamma   119.715
_symmetry_Int_Tables_number   1
_cell_volume   302.456
_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
  Li  Li0  1  0.669  0.333  0.088  1.0
  Li  Li1  1  0.002  0.003  0.014  1.0
  Li  Li2  1  0.003  0.009  0.516  1.0
  Li  Li3  1  0.336  0.669  0.590  1.0
  Fe  Fe4  1  0.828  0.660  0.786  1.0
  Fe  Fe5  1  0.659  0.828  0.287  1.0
  Fe  Fe6  1  0.168  0.826  0.287  1.0
  Co  Co7  1  0.827  0.170  0.788  1.0
  Co  Co8  1  0.343  0.171  0.788  1.0
  Co  Co9  1  0.171  0.343  0.289  1.0
  Te  Te10  1  0.665  0.330  0.517  1.0
  Te  Te11  1  0.328  0.661  0.015  1.0
  O  O12  1  0.825  0.167  0.411  1.0
  O  O13  1  0.524  0.040  0.649  1.0
  O  O14  1  0.678  0.334  0.886  1.0
  O  O15  1  0.991  0.005  0.706  1.0
  O  O16  1  0.996  0.993  0.203  1.0
  O  O17  1  0.342  0.165  0.412  1.0
  O  O18  1  0.964  0.487  0.647  1.0
  O  O19  1  0.527  0.490  0.645  1.0
  O  O20  1  0.165  0.334  0.912  1.0
  O  O21  1  0.826  0.651  0.406  1.0
  O  O22  1  0.485  0.523  0.145  1.0
  O  O23  1  0.038  0.526  0.146  1.0
  O  O24  1  0.341  0.678  0.391  1.0
  O  O25  1  0.652  0.821  0.909  1.0
  O  O26  1  0.480  0.961  0.148  1.0
  O  O27  1  0.166  0.821  0.909  1.0
[/CIF]
.
The material structure described by Li4Fe3Co3(TeO8)2 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-68°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Te site, Te(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Co(3), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(1), one Co(2), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OLiFeCo2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), one Co(1), and one Co(2) atom to form corner-sharing OLiFeCo2 tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), one Fe(2), one Fe(3), and one Co(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(3), one Co(3), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Co(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(3), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(3), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(3), one Co(3), and one Te(2) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(2), one Fe(3), and one Co(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Co(1), and one Te(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one Te(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Co(2), and one Te(2) atom. is represented by the CIF card [CIF]
data_Li4Fe3Co3(TeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   5.981
_cell_length_c   9.763
_cell_angle_alpha   90.618
_cell_angle_beta   90.115
_cell_angle_gamma   119.715
_symmetry_Int_Tables_number   1
_cell_volume   302.456
_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
  Li  Li0  1  0.669  0.333  0.088  1.0
  Li  Li1  1  0.002  0.003  0.014  1.0
  Li  Li2  1  0.003  0.009  0.516  1.0
  Li  Li3  1  0.336  0.669  0.590  1.0
  Fe  Fe4  1  0.828  0.660  0.786  1.0
  Fe  Fe5  1  0.659  0.828  0.287  1.0
  Fe  Fe6  1  0.168  0.826  0.287  1.0
  Co  Co7  1  0.827  0.170  0.788  1.0
  Co  Co8  1  0.343  0.171  0.788  1.0
  Co  Co9  1  0.171  0.343  0.289  1.0
  Te  Te10  1  0.665  0.330  0.517  1.0
  Te  Te11  1  0.328  0.661  0.015  1.0
  O  O12  1  0.825  0.167  0.411  1.0
  O  O13  1  0.524  0.040  0.649  1.0
  O  O14  1  0.678  0.334  0.886  1.0
  O  O15  1  0.991  0.005  0.706  1.0
  O  O16  1  0.996  0.993  0.203  1.0
  O  O17  1  0.342  0.165  0.412  1.0
  O  O18  1  0.964  0.487  0.647  1.0
  O  O19  1  0.527  0.490  0.645  1.0
  O  O20  1  0.165  0.334  0.912  1.0
  O  O21  1  0.826  0.651  0.406  1.0
  O  O22  1  0.485  0.523  0.145  1.0
  O  O23  1  0.038  0.526  0.146  1.0
  O  O24  1  0.341  0.678  0.391  1.0
  O  O25  1  0.652  0.821  0.909  1.0
  O  O26  1  0.480  0.961  0.148  1.0
  O  O27  1  0.166  0.821  0.909  1.0
[/CIF]
.