cell  7.805  52.503  7.414  90  90  90
Cl1  17  1.1433 0.1 0.2760
Cl2  17 0.8970 0.1188 0.0179
C1  6 0.9973 0.0912 0.1054
C2  6 0.8568 0.073 0.1657
C3  6 0.6918 0.0550 0.4105
C4  6 0.5164 0.0675 0.3894
C5  6 0.7401 0.0476 0.6053
C6  6 0.8926 0.0299 0.6088
C7  6 0.8699 0.0043 0.6088
C8  6  1.0048  -0.0123 0.5641
C9  6  1.1657  -0.0028 0.6101
C10  6  1.1923 0.0224 0.6542
C11  6  1.0564 0.0388 0.6520
C12  6 0.4482 0.0958 0.6361
C13  6 0.4826 0.1221 0.7008
C14  6 0.4136 0.1278 0.8864
C15  6 0.4658 0.1542 0.9516
C16  6 0.4021 0.1607  1.1388
C17  6 0.4617 0.1869  1.2028
C18  6 0.3946 0.1946  1.3867
C19  6 0.4608 0.2198  1.4547
C20  6 0.3914 0.2277  1.6372
C21  6 0.4630 0.2530  1.7070
C22  6 0.3920 0.2604  1.8881
C23  6 0.4645 0.2851  1.9618
C24  6 0.3887 0.2926  2.1437
C25  6 0.4615 0.3171  2.2218
C26  6 0.3805 0.3241  2.3980
C27  6 0.4498 0.3482  2.4779
O1   8 0.7787 0.0612 0.0483
O2  8 0.5173 0.0928 0.4691
O3  8 0.7772 0.0714 0.6949
O4  8 0.3733 0.0794 0.7134
O5  8  1.2858  -0.0431 0.5978
O6  8  1.4563  -0.0115 0.6315
N1  7 0.8266 0.0710 0.34
N2  7  1.3144  -0.0203 0.6149
rgnr  19