The material described by (CoAl(PO4)2)2N2 is quartz (alpha)-derived structured and crystallizes in the triclinic P1 space group. The structure consists of four ammonia atoms inside a CoAl(PO4)2 framework. In the CoAl(PO4)2 framework, there are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(13), one O(17), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(22), one O(26), one O(30), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(23), one O(27), one O(31), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(24), one O(28), one O(32), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(14), one O(18), and one O(2) atom to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(11), one O(15), one O(19), and one O(3) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(12), one O(16), one O(20), and one O(4) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(21), one O(25), one O(29), and one O(5) atom to form AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(15), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(16), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(14), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(17), one O(21), one O(28), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(18), one O(22), one O(27), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Al(1)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(19), one O(23), one O(26), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(20), one O(24), one O(25), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Al(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(4) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Co(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Al(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Al(2) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Al(3) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Al(4) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Co(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Co(3) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Co(4) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Al(4) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Co(2) and one P(7) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Co(3) and one P(6) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Co(4) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one Al(4) and one P(7) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Co(2) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Co(3) and one P(5) atom. In the thirty-second O site, O(32) is bonded in a bent 150 degrees geometry to one Co(4) and one P(6) atom. is represented by the CIF file [CIF]
data_AlCoP2NO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.937
_cell_length_b   9.488
_cell_length_c   9.516
_cell_angle_alpha   90.204
_cell_angle_beta   97.523
_cell_angle_gamma   96.953
_symmetry_Int_Tables_number   1
_cell_volume   793.922
_cell_formula_units_Z   4
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
  Al  Al0  1  0.109  0.307  0.427  1.0
  Al  Al1  1  0.608  0.421  0.305  1.0
  Al  Al2  1  0.893  0.694  0.575  1.0
  Al  Al3  1  0.441  0.052  0.787  1.0
  Co  Co4  1  0.391  0.575  0.693  1.0
  Co  Co5  1  0.053  0.212  0.949  1.0
  Co  Co6  1  0.557  0.952  0.214  1.0
  Co  Co7  1  0.948  0.788  0.051  1.0
  P  P8  1  0.549  0.703  0.441  1.0
  P  P9  1  0.954  0.554  0.297  1.0
  P  P10  1  0.456  0.289  0.556  1.0
  P  P11  1  0.039  0.444  0.704  1.0
  P  P12  1  0.588  0.799  0.918  1.0
  P  P13  1  0.914  0.083  0.208  1.0
  P  P14  1  0.411  0.206  0.078  1.0
  P  P15  1  0.091  0.919  0.794  1.0
  N  N16  1  0.725  0.427  0.930  1.0
  N  N17  1  0.775  0.070  0.574  1.0
  N  N18  1  0.275  0.574  0.071  1.0
  N  N19  1  0.226  0.929  0.427  1.0
  O  O20  1  0.413  0.671  0.527  1.0
  O  O21  1  0.084  0.463  0.330  1.0
  O  O22  1  0.581  0.319  0.458  1.0
  O  O23  1  0.906  0.534  0.669  1.0
  O  O24  1  0.472  0.149  0.634  1.0
  O  O25  1  0.019  0.371  0.846  1.0
  O  O26  1  0.531  0.848  0.372  1.0
  O  O27  1  0.970  0.626  0.153  1.0
  O  O28  1  0.188  0.547  0.717  1.0
  O  O29  1  0.301  0.283  0.463  1.0
  O  O30  1  0.802  0.456  0.288  1.0
  O  O31  1  0.700  0.714  0.542  1.0
  O  O32  1  0.474  0.408  0.671  1.0
  O  O33  1  0.037  0.329  0.589  1.0
  O  O34  1  0.542  0.586  0.327  1.0
  O  O35  1  0.962  0.671  0.412  1.0
  O  O36  1  0.495  0.661  0.856  1.0
  O  O37  1  0.013  0.155  0.338  1.0
  O  O38  1  0.516  0.335  0.148  1.0
  O  O39  1  0.999  0.844  0.662  1.0
  O  O40  1  0.570  0.924  0.815  1.0
  O  O41  1  0.917  0.182  0.079  1.0
  O  O42  1  0.415  0.079  0.181  1.0
  O  O43  1  0.088  0.819  0.923  1.0
  O  O44  1  0.257  0.958  0.766  1.0
  O  O45  1  0.247  0.245  0.052  1.0
  O  O46  1  0.750  0.055  0.243  1.0
  O  O47  1  0.756  0.773  0.943  1.0
  O  O48  1  0.466  0.166  0.938  1.0
  O  O49  1  0.020  0.055  0.826  1.0
  O  O50  1  0.525  0.831  0.057  1.0
  O  O51  1  0.979  0.944  0.175  1.0
[/CIF]
.
The material described by (CoAl(PO4)2)2N2 is quartz (alpha)-derived structured and crystallizes in the triclinic P1 space group. The structure consists of four ammonia atoms inside a CoAl(PO4)2 framework. In the CoAl(PO4)2 framework, there are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(13), one O(17), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(22), one O(26), one O(30), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(23), one O(27), one O(31), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(24), one O(28), one O(32), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(14), one O(18), and one O(2) atom to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(11), one O(15), one O(19), and one O(3) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(12), one O(16), one O(20), and one O(4) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(21), one O(25), one O(29), and one O(5) atom to form AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(15), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(16), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(14), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a cornercorner with one Al(3)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(17), one O(21), one O(28), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(18), one O(22), one O(27), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and  a cornercorner with one Al(1)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(19), one O(23), one O(26), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(20), one O(24), one O(25), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Al(4)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Al(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(4) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Co(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Al(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Al(2) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Al(3) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Al(4) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Co(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Co(3) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Co(4) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Al(4) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Co(2) and one P(7) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Co(3) and one P(6) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Co(4) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one Al(4) and one P(7) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Co(2) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Co(3) and one P(5) atom. In the thirty-second O site, O(32) is bonded in a bent 150 degrees geometry to one Co(4) and one P(6) atom. is represented by the CIF file [CIF]
data_AlCoP2NO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.937
_cell_length_b   9.488
_cell_length_c   9.516
_cell_angle_alpha   90.204
_cell_angle_beta   97.523
_cell_angle_gamma   96.953
_symmetry_Int_Tables_number   1
_cell_volume   793.922
_cell_formula_units_Z   4
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
  Al  Al0  1  0.109  0.307  0.427  1.0
  Al  Al1  1  0.608  0.421  0.305  1.0
  Al  Al2  1  0.893  0.694  0.575  1.0
  Al  Al3  1  0.441  0.052  0.787  1.0
  Co  Co4  1  0.391  0.575  0.693  1.0
  Co  Co5  1  0.053  0.212  0.949  1.0
  Co  Co6  1  0.557  0.952  0.214  1.0
  Co  Co7  1  0.948  0.788  0.051  1.0
  P  P8  1  0.549  0.703  0.441  1.0
  P  P9  1  0.954  0.554  0.297  1.0
  P  P10  1  0.456  0.289  0.556  1.0
  P  P11  1  0.039  0.444  0.704  1.0
  P  P12  1  0.588  0.799  0.918  1.0
  P  P13  1  0.914  0.083  0.208  1.0
  P  P14  1  0.411  0.206  0.078  1.0
  P  P15  1  0.091  0.919  0.794  1.0
  N  N16  1  0.725  0.427  0.930  1.0
  N  N17  1  0.775  0.070  0.574  1.0
  N  N18  1  0.275  0.574  0.071  1.0
  N  N19  1  0.226  0.929  0.427  1.0
  O  O20  1  0.413  0.671  0.527  1.0
  O  O21  1  0.084  0.463  0.330  1.0
  O  O22  1  0.581  0.319  0.458  1.0
  O  O23  1  0.906  0.534  0.669  1.0
  O  O24  1  0.472  0.149  0.634  1.0
  O  O25  1  0.019  0.371  0.846  1.0
  O  O26  1  0.531  0.848  0.372  1.0
  O  O27  1  0.970  0.626  0.153  1.0
  O  O28  1  0.188  0.547  0.717  1.0
  O  O29  1  0.301  0.283  0.463  1.0
  O  O30  1  0.802  0.456  0.288  1.0
  O  O31  1  0.700  0.714  0.542  1.0
  O  O32  1  0.474  0.408  0.671  1.0
  O  O33  1  0.037  0.329  0.589  1.0
  O  O34  1  0.542  0.586  0.327  1.0
  O  O35  1  0.962  0.671  0.412  1.0
  O  O36  1  0.495  0.661  0.856  1.0
  O  O37  1  0.013  0.155  0.338  1.0
  O  O38  1  0.516  0.335  0.148  1.0
  O  O39  1  0.999  0.844  0.662  1.0
  O  O40  1  0.570  0.924  0.815  1.0
  O  O41  1  0.917  0.182  0.079  1.0
  O  O42  1  0.415  0.079  0.181  1.0
  O  O43  1  0.088  0.819  0.923  1.0
  O  O44  1  0.257  0.958  0.766  1.0
  O  O45  1  0.247  0.245  0.052  1.0
  O  O46  1  0.750  0.055  0.243  1.0
  O  O47  1  0.756  0.773  0.943  1.0
  O  O48  1  0.466  0.166  0.938  1.0
  O  O49  1  0.020  0.055  0.826  1.0
  O  O50  1  0.525  0.831  0.057  1.0
  O  O51  1  0.979  0.944  0.175  1.0
[/CIF]
.