The compound described by Sr5(ReO3)12 crystallizes in the triclinic P1 space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(14), one O(19), one O(2), one O(20), one O(5), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(24), one O(25), one O(3), one O(32), one O(34), one O(5), and one O(6) atom. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(16), one O(18), one O(20), one O(22), one O(28), one O(31), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(12), one O(15), one O(16), one O(21), one O(23), one O(27), one O(29), one O(31), and one O(9) atom. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(23), one O(24), one O(25), one O(28), one O(30), one O(33), one O(35), one O(36), and one O(7) atom. There are twelve inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(10), one O(15), one O(2), one O(20), and one O(9) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second Re site, Re(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(8) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the third Re site, Re(3) is bonded to one O(13), one O(14), one O(34), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the fourth Re site, Re(4) is bonded to one O(16), one O(17), one O(27), one O(28), one O(35), and one O(9) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. In the fifth Re site, Re(5) is bonded to one O(18), one O(22), one O(24), one O(26), one O(28), and one O(33) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the sixth Re site, Re(6) is bonded to one O(22), one O(23), one O(24), one O(25), one O(27), and one O(32) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the seventh Re site, Re(7) is bonded to one O(11), one O(14), one O(19), one O(20), one O(21), and one O(4) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the eighth Re site, Re(8) is bonded to one O(12), one O(13), one O(15), one O(19), one O(21), and one O(5) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the ninth Re site, Re(9) is bonded to one O(25), one O(26), one O(3), one O(30), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the tenth Re site, Re(10) is bonded to one O(11), one O(12), one O(16), one O(17), one O(2), and one O(31) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the eleventh Re site, Re(11) is bonded to one O(18), one O(23), one O(29), one O(31), one O(35), and one O(36) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the twelfth Re site, Re(12) is bonded to one O(29), one O(30), one O(32), one O(33), one O(34), and one O(36) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Re(1), and one Re(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Re(1), and one Re(10) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(2), one Re(2), and one Re(9) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Re(2) and one Re(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Re(2), and one Re(8) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Sr(2), one Re(3), and one Re(9) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Re(3), and one Re(9) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Re(2), and one Re(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(4), one Re(1), and one Re(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Sr(3), one Re(1), and one Re(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Sr(3), one Re(10), and one Re(7) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Sr(4), one Re(10), and one Re(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Sr(2), one Re(3), and one Re(8) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sr(1), one Re(3), and one Re(7) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Sr(4), one Re(1), and one Re(8) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Re(10), and one Re(4) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Re(10) and one Re(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Sr(3), one Re(11), and one Re(5) atom. In the nineteenth O site, O(19) is bonded in a distorted T-shaped geometry to one Sr(1), one Re(7), and one Re(8) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Sr(3), one Re(1), and one Re(7) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Sr(4), one Re(7), and one Re(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Sr(3), one Re(5), and one Re(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Sr(4), one Sr(5), one Re(11), and one Re(6) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Re(5), and one Re(6) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Re(6), and one Re(9) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Re(5) and one Re(9) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Sr(4), one Re(4), and one Re(6) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Sr(3), one Sr(5), one Re(4), and one Re(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted T-shaped geometry to one Sr(4), one Re(11), and one Re(12) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one Sr(5), one Re(12), and one Re(9) atom. In the thirty-first O site, O(31) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Re(10), and one Re(11) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Sr(2), one Re(12), and one Re(6) atom. In the thirty-third O site, O(33) is bonded in a distorted trigonal non-coplanar geometry to one Sr(5), one Re(12), and one Re(5) atom. In the thirty-fourth O site, O(34) is bonded in a distorted bent 150 degrees geometry to one Sr(2), one Re(12), and one Re(3) atom. In the thirty-fifth O site, O(35) is bonded in a 3-coordinate geometry to one Sr(5), one Re(11), and one Re(4) atom. In the thirty-sixth O site, O(36) is bonded in a 3-coordinate geometry to one Sr(5), one Re(11), and one Re(12) atom. is represented by the CIF file [CIF]
data_Sr5(ReO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.044
_cell_length_b   8.112
_cell_length_c   13.145
_cell_angle_alpha   90.038
_cell_angle_beta   90.051
_cell_angle_gamma   109.568
_symmetry_Int_Tables_number   1
_cell_volume   808.164
_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
  Sr  Sr0  1  0.184  0.188  0.185  1.0
  Sr  Sr1  1  0.001  0.637  0.000  1.0
  Sr  Sr2  1  0.499  0.861  0.500  1.0
  Sr  Sr3  1  0.854  0.498  0.500  1.0
  Sr  Sr4  1  0.187  0.188  0.816  1.0
  Re  Re5  1  0.180  0.816  0.316  1.0
  Re  Re6  1  0.330  0.689  0.181  1.0
  Re  Re7  1  0.567  0.425  0.069  1.0
  Re  Re8  1  0.068  0.935  0.569  1.0
  Re  Re9  1  0.391  0.886  0.755  1.0
  Re  Re10  1  0.114  0.616  0.747  1.0
  Re  Re11  1  0.617  0.113  0.252  1.0
  Re  Re12  1  0.888  0.389  0.251  1.0
  Re  Re13  1  0.435  0.569  0.931  1.0
  Re  Re14  1  0.937  0.066  0.432  1.0
  Re  Re15  1  0.817  0.182  0.682  1.0
  Re  Re16  1  0.684  0.321  0.817  1.0
  O  O17  1  0.166  0.835  0.164  1.0
  O  O18  1  0.034  0.968  0.323  1.0
  O  O19  1  0.325  0.672  0.033  1.0
  O  O20  1  0.526  0.889  0.182  1.0
  O  O21  1  0.114  0.477  0.177  1.0
  O  O22  1  0.667  0.658  0.999  1.0
  O  O23  1  0.329  0.328  0.999  1.0
  O  O24  1  0.460  0.526  0.170  1.0
  O  O25  1  0.171  0.819  0.468  1.0
  O  O26  1  0.337  0.676  0.334  1.0
  O  O27  1  0.711  0.005  0.355  1.0
  O  O28  1  0.997  0.288  0.352  1.0
  O  O29  1  0.788  0.491  0.146  1.0
  O  O30  1  0.504  0.212  0.149  1.0
  O  O31  1  0.972  0.613  0.322  1.0
  O  O32  1  0.829  0.830  0.500  1.0
  O  O33  1  0.164  0.162  0.500  1.0
  O  O34  1  0.612  0.975  0.679  1.0
  O  O35  1  0.839  0.169  0.171  1.0
  O  O36  1  0.384  0.026  0.320  1.0
  O  O37  1  0.673  0.332  0.336  1.0
  O  O38  1  0.333  0.674  0.665  1.0
  O  O39  1  0.028  0.386  0.679  1.0
  O  O40  1  0.164  0.833  0.836  1.0
  O  O41  1  0.208  0.505  0.856  1.0
  O  O42  1  0.490  0.783  0.853  1.0
  O  O43  1  0.003  0.709  0.645  1.0
  O  O44  1  0.286  0.992  0.650  1.0
  O  O45  1  0.676  0.339  0.665  1.0
  O  O46  1  0.525  0.459  0.827  1.0
  O  O47  1  0.818  0.170  0.531  1.0
  O  O48  1  0.889  0.529  0.822  1.0
  O  O49  1  0.473  0.116  0.821  1.0
  O  O50  1  0.677  0.335  0.966  1.0
  O  O51  1  0.968  0.035  0.674  1.0
  O  O52  1  0.840  0.173  0.831  1.0
[/CIF]
.
The compound described by Sr5(ReO3)12 crystallizes in the triclinic P1 space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(14), one O(19), one O(2), one O(20), one O(5), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(24), one O(25), one O(3), one O(32), one O(34), one O(5), and one O(6) atom. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(16), one O(18), one O(20), one O(22), one O(28), one O(31), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(12), one O(15), one O(16), one O(21), one O(23), one O(27), one O(29), one O(31), and one O(9) atom. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(23), one O(24), one O(25), one O(28), one O(30), one O(33), one O(35), one O(36), and one O(7) atom. There are twelve inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(10), one O(15), one O(2), one O(20), and one O(9) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second Re site, Re(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(8) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the third Re site, Re(3) is bonded to one O(13), one O(14), one O(34), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the fourth Re site, Re(4) is bonded to one O(16), one O(17), one O(27), one O(28), one O(35), and one O(9) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 41-45°. In the fifth Re site, Re(5) is bonded to one O(18), one O(22), one O(24), one O(26), one O(28), and one O(33) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the sixth Re site, Re(6) is bonded to one O(22), one O(23), one O(24), one O(25), one O(27), and one O(32) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the seventh Re site, Re(7) is bonded to one O(11), one O(14), one O(19), one O(20), one O(21), and one O(4) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the eighth Re site, Re(8) is bonded to one O(12), one O(13), one O(15), one O(19), one O(21), and one O(5) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the ninth Re site, Re(9) is bonded to one O(25), one O(26), one O(3), one O(30), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the tenth Re site, Re(10) is bonded to one O(11), one O(12), one O(16), one O(17), one O(2), and one O(31) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the eleventh Re site, Re(11) is bonded to one O(18), one O(23), one O(29), one O(31), one O(35), and one O(36) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the twelfth Re site, Re(12) is bonded to one O(29), one O(30), one O(32), one O(33), one O(34), and one O(36) atom to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Re(1), and one Re(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Re(1), and one Re(10) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(2), one Re(2), and one Re(9) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Re(2) and one Re(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Re(2), and one Re(8) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Sr(2), one Re(3), and one Re(9) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Re(3), and one Re(9) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Re(2), and one Re(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(4), one Re(1), and one Re(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Sr(3), one Re(1), and one Re(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Sr(3), one Re(10), and one Re(7) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Sr(4), one Re(10), and one Re(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Sr(2), one Re(3), and one Re(8) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sr(1), one Re(3), and one Re(7) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Sr(4), one Re(1), and one Re(8) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Re(10), and one Re(4) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Re(10) and one Re(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Sr(3), one Re(11), and one Re(5) atom. In the nineteenth O site, O(19) is bonded in a distorted T-shaped geometry to one Sr(1), one Re(7), and one Re(8) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Sr(3), one Re(1), and one Re(7) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Sr(4), one Re(7), and one Re(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Sr(3), one Re(5), and one Re(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Sr(4), one Sr(5), one Re(11), and one Re(6) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Re(5), and one Re(6) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Re(6), and one Re(9) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Re(5) and one Re(9) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Sr(4), one Re(4), and one Re(6) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Sr(3), one Sr(5), one Re(4), and one Re(5) atom. In the twenty-ninth O site, O(29) is bonded in a distorted T-shaped geometry to one Sr(4), one Re(11), and one Re(12) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one Sr(5), one Re(12), and one Re(9) atom. In the thirty-first O site, O(31) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Re(10), and one Re(11) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Sr(2), one Re(12), and one Re(6) atom. In the thirty-third O site, O(33) is bonded in a distorted trigonal non-coplanar geometry to one Sr(5), one Re(12), and one Re(5) atom. In the thirty-fourth O site, O(34) is bonded in a distorted bent 150 degrees geometry to one Sr(2), one Re(12), and one Re(3) atom. In the thirty-fifth O site, O(35) is bonded in a 3-coordinate geometry to one Sr(5), one Re(11), and one Re(4) atom. In the thirty-sixth O site, O(36) is bonded in a 3-coordinate geometry to one Sr(5), one Re(11), and one Re(12) atom. is represented by the CIF file [CIF]
data_Sr5(ReO3)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.044
_cell_length_b   8.112
_cell_length_c   13.145
_cell_angle_alpha   90.038
_cell_angle_beta   90.051
_cell_angle_gamma   109.568
_symmetry_Int_Tables_number   1
_cell_volume   808.164
_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
  Sr  Sr0  1  0.184  0.188  0.185  1.0
  Sr  Sr1  1  0.001  0.637  0.000  1.0
  Sr  Sr2  1  0.499  0.861  0.500  1.0
  Sr  Sr3  1  0.854  0.498  0.500  1.0
  Sr  Sr4  1  0.187  0.188  0.816  1.0
  Re  Re5  1  0.180  0.816  0.316  1.0
  Re  Re6  1  0.330  0.689  0.181  1.0
  Re  Re7  1  0.567  0.425  0.069  1.0
  Re  Re8  1  0.068  0.935  0.569  1.0
  Re  Re9  1  0.391  0.886  0.755  1.0
  Re  Re10  1  0.114  0.616  0.747  1.0
  Re  Re11  1  0.617  0.113  0.252  1.0
  Re  Re12  1  0.888  0.389  0.251  1.0
  Re  Re13  1  0.435  0.569  0.931  1.0
  Re  Re14  1  0.937  0.066  0.432  1.0
  Re  Re15  1  0.817  0.182  0.682  1.0
  Re  Re16  1  0.684  0.321  0.817  1.0
  O  O17  1  0.166  0.835  0.164  1.0
  O  O18  1  0.034  0.968  0.323  1.0
  O  O19  1  0.325  0.672  0.033  1.0
  O  O20  1  0.526  0.889  0.182  1.0
  O  O21  1  0.114  0.477  0.177  1.0
  O  O22  1  0.667  0.658  0.999  1.0
  O  O23  1  0.329  0.328  0.999  1.0
  O  O24  1  0.460  0.526  0.170  1.0
  O  O25  1  0.171  0.819  0.468  1.0
  O  O26  1  0.337  0.676  0.334  1.0
  O  O27  1  0.711  0.005  0.355  1.0
  O  O28  1  0.997  0.288  0.352  1.0
  O  O29  1  0.788  0.491  0.146  1.0
  O  O30  1  0.504  0.212  0.149  1.0
  O  O31  1  0.972  0.613  0.322  1.0
  O  O32  1  0.829  0.830  0.500  1.0
  O  O33  1  0.164  0.162  0.500  1.0
  O  O34  1  0.612  0.975  0.679  1.0
  O  O35  1  0.839  0.169  0.171  1.0
  O  O36  1  0.384  0.026  0.320  1.0
  O  O37  1  0.673  0.332  0.336  1.0
  O  O38  1  0.333  0.674  0.665  1.0
  O  O39  1  0.028  0.386  0.679  1.0
  O  O40  1  0.164  0.833  0.836  1.0
  O  O41  1  0.208  0.505  0.856  1.0
  O  O42  1  0.490  0.783  0.853  1.0
  O  O43  1  0.003  0.709  0.645  1.0
  O  O44  1  0.286  0.992  0.650  1.0
  O  O45  1  0.676  0.339  0.665  1.0
  O  O46  1  0.525  0.459  0.827  1.0
  O  O47  1  0.818  0.170  0.531  1.0
  O  O48  1  0.889  0.529  0.822  1.0
  O  O49  1  0.473  0.116  0.821  1.0
  O  O50  1  0.677  0.335  0.966  1.0
  O  O51  1  0.968  0.035  0.674  1.0
  O  O52  1  0.840  0.173  0.831  1.0
[/CIF]
.