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data_ADAMOL
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/n'
_symmetry_Int_Tables_number      86
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,1/2+x,1/2+z
3 1/2-x,1/2-y,z
4 1/2+y,-x,1/2+z
5 -x,-y,-z
6 y,1/2-x,1/2-z
7 1/2+x,1/2+y,-z
8 1/2-y,x,1/2-z
_cell_length_a                   15.856(3)
_cell_length_b                   15.856(3)
_cell_length_c                   6.864(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1725.7
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.37440 0.23420 1.25490
C1 C 0.43500 0.21900 1.10350
C2 C 0.39030 0.20830 0.90860
C3 C 0.45520 0.19260 0.74810
C4 C 0.51500 0.26720 0.73890
C5 C 0.56090 0.27730 0.93160
C6 C 0.61010 0.19780 0.97920
C7 C 0.54950 0.12340 0.98770
C8 C 0.48400 0.13890 1.14640
C9 C 0.50510 0.11300 0.79390
C10 C 0.49490 0.29320 1.09350
H1 H 0.36170 0.26290 0.88060
H2 H 0.35330 0.16110 0.91700
H3 H 0.42660 0.18430 0.60780
H4 H 0.55670 0.25870 0.64030
H5 H 0.48580 0.32660 0.72290
H6 H 0.59330 0.32640 0.92740
H7 H 0.65460 0.18850 0.87420
H8 H 0.63970 0.20210 1.10220
H9 H 0.58300 0.07180 1.01430
H10 H 0.51050 0.14800 1.26830
H11 H 0.43970 0.09420 1.15930
H12 H 0.46160 0.06380 0.80340
H13 H 0.54750 0.10400 0.68210
H14 H 0.45790 0.34310 1.07060
H15 H 0.52320 0.29990 1.21320
H16 H 0.34480 0.27920 1.24200
O1 O 0.76580 0.87440 0.75490
C1 C 0.78100 0.93500 0.60350
C2 C 0.79170 0.89030 0.40860
C3 C 0.80740 0.95520 0.24810
C4 C 0.73280 1.01500 0.23890
C5 C 0.72270 1.06090 0.43160
C6 C 0.80220 1.11010 0.47920
C7 C 0.87660 1.04950 0.48770
C8 C 0.86110 0.98400 0.64640
C9 C 0.88700 1.00510 0.29390
C10 C 0.70680 0.99490 0.59350
H1 H 0.73710 0.86170 0.38060
H2 H 0.83890 0.85330 0.41700
H3 H 0.81570 0.92660 0.10780
H4 H 0.74130 1.05670 0.14030
H5 H 0.67340 0.98580 0.22290
H6 H 0.67360 1.09330 0.42740
H7 H 0.81150 1.15460 0.37420
H8 H 0.79790 1.13970 0.60220
H9 H 0.92820 1.08300 0.51430
H10 H 0.85200 1.01050 0.76830
H11 H 0.90580 0.93970 0.65930
H12 H 0.93620 0.96160 0.30340
H13 H 0.89600 1.04750 0.18210
H14 H 0.65690 0.95790 0.57060
H15 H 0.70010 1.02320 0.71320
H16 H 0.72080 0.84480 0.74200
O1 O 0.12560 0.26580 1.25490
C1 C 0.06500 0.28100 1.10350
C2 C 0.10970 0.29170 0.90860
C3 C 0.04480 0.30740 0.74810
C4 C -0.01500 0.23280 0.73890
C5 C -0.06090 0.22270 0.93160
C6 C -0.11010 0.30220 0.97920
C7 C -0.04950 0.37660 0.98770
C8 C 0.01600 0.36110 1.14640
C9 C -0.00510 0.38700 0.79390
C10 C 0.00510 0.20680 1.09350
H1 H 0.13830 0.23710 0.88060
H2 H 0.14670 0.33890 0.91700
H3 H 0.07340 0.31570 0.60780
H4 H -0.05670 0.24130 0.64030
H5 H 0.01420 0.17340 0.72290
H6 H -0.09330 0.17360 0.92740
H7 H -0.15460 0.31150 0.87420
H8 H -0.13970 0.29790 1.10220
H9 H -0.08300 0.42820 1.01430
H10 H -0.01050 0.35200 1.26830
H11 H 0.06030 0.40580 1.15930
H12 H 0.03840 0.43620 0.80340
H13 H -0.04750 0.39600 0.68210
H14 H 0.04210 0.15690 1.07060
H15 H -0.02320 0.20010 1.21320
H16 H 0.15520 0.22080 1.24200
O1 O 0.73420 0.62560 0.75490
C1 C 0.71900 0.56500 0.60350
C2 C 0.70830 0.60970 0.40860
C3 C 0.69260 0.54480 0.24810
C4 C 0.76720 0.48500 0.23890
C5 C 0.77730 0.43910 0.43160
C6 C 0.69780 0.38990 0.47920
C7 C 0.62340 0.45050 0.48770
C8 C 0.63890 0.51600 0.64640
C9 C 0.61300 0.49490 0.29390
C10 C 0.79320 0.50510 0.59350
H1 H 0.76290 0.63830 0.38060
H2 H 0.66110 0.64670 0.41700
H3 H 0.68430 0.57340 0.10780
H4 H 0.75870 0.44330 0.14030
H5 H 0.82660 0.51420 0.22290
H6 H 0.82640 0.40670 0.42740
H7 H 0.68850 0.34540 0.37420
H8 H 0.70210 0.36030 0.60220
H9 H 0.57180 0.41700 0.51430
H10 H 0.64800 0.48950 0.76830
H11 H 0.59420 0.56030 0.65930
H12 H 0.56380 0.53840 0.30340
H13 H 0.60400 0.45250 0.18210
H14 H 0.84310 0.54210 0.57060
H15 H 0.79990 0.47680 0.71320
H16 H 0.77920 0.65520 0.74200
O1 O 0.62560 0.76580 -0.25490
C1 C 0.56500 0.78100 -0.10350
C2 C 0.60970 0.79170 0.09140
C3 C 0.54480 0.80740 0.25190
C4 C 0.48500 0.73280 0.26110
C5 C 0.43910 0.72270 0.06840
C6 C 0.38990 0.80220 0.02080
C7 C 0.45050 0.87660 0.01230
C8 C 0.51600 0.86110 -0.14640
C9 C 0.49490 0.88700 0.20610
C10 C 0.50510 0.70680 -0.09350
H1 H 0.63830 0.73710 0.11940
H2 H 0.64670 0.83890 0.08300
H3 H 0.57340 0.81570 0.39220
H4 H 0.44330 0.74130 0.35970
H5 H 0.51420 0.67340 0.27710
H6 H 0.40670 0.67360 0.07260
H7 H 0.34540 0.81150 0.12580
H8 H 0.36030 0.79790 -0.10220
H9 H 0.41700 0.92820 -0.01430
H10 H 0.48950 0.85200 -0.26830
H11 H 0.56030 0.90580 -0.15930
H12 H 0.53840 0.93620 0.19660
H13 H 0.45250 0.89600 0.31790
H14 H 0.54210 0.65690 -0.07060
H15 H 0.47680 0.70010 -0.21320
H16 H 0.65520 0.72080 -0.24200
O1 O 0.23420 0.12560 0.24510
C1 C 0.21900 0.06500 0.39650
C2 C 0.20830 0.10970 0.59140
C3 C 0.19260 0.04480 0.75190
C4 C 0.26720 -0.01500 0.76110
C5 C 0.27730 -0.06090 0.56840
C6 C 0.19780 -0.11010 0.52080
C7 C 0.12340 -0.04950 0.51230
C8 C 0.13890 0.01600 0.35360
C9 C 0.11300 -0.00510 0.70610
C10 C 0.29320 0.00510 0.40650
H1 H 0.26290 0.13830 0.61940
H2 H 0.16110 0.14670 0.58300
H3 H 0.18430 0.07340 0.89220
H4 H 0.25870 -0.05670 0.85970
H5 H 0.32660 0.01420 0.77710
H6 H 0.32640 -0.09330 0.57260
H7 H 0.18850 -0.15460 0.62580
H8 H 0.20210 -0.13970 0.39780
H9 H 0.07180 -0.08300 0.48570
H10 H 0.14800 -0.01050 0.23170
H11 H 0.09420 0.06030 0.34070
H12 H 0.06380 0.03840 0.69660
H13 H 0.10400 -0.04750 0.81790
H14 H 0.34310 0.04210 0.42940
H15 H 0.29990 -0.02320 0.28680
H16 H 0.27920 0.15520 0.25800
O1 O 0.87440 0.73420 -0.25490
C1 C 0.93500 0.71900 -0.10350
C2 C 0.89030 0.70830 0.09140
C3 C 0.95520 0.69260 0.25190
C4 C 1.01500 0.76720 0.26110
C5 C 1.06090 0.77730 0.06840
C6 C 1.11010 0.69780 0.02080
C7 C 1.04950 0.62340 0.01230
C8 C 0.98400 0.63890 -0.14640
C9 C 1.00510 0.61300 0.20610
C10 C 0.99490 0.79320 -0.09350
H1 H 0.86170 0.76290 0.11940
H2 H 0.85330 0.66110 0.08300
H3 H 0.92660 0.68430 0.39220
H4 H 1.05670 0.75870 0.35970
H5 H 0.98580 0.82660 0.27710
H6 H 1.09330 0.82640 0.07260
H7 H 1.15460 0.68850 0.12580
H8 H 1.13970 0.70210 -0.10220
H9 H 1.08300 0.57180 -0.01430
H10 H 1.01050 0.64800 -0.26830
H11 H 0.93970 0.59420 -0.15930
H12 H 0.96160 0.56380 0.19660
H13 H 1.04750 0.60400 0.31790
H14 H 0.95790 0.84310 -0.07060
H15 H 1.02320 0.79990 -0.21320
H16 H 0.84480 0.77920 -0.24200
O1 O 0.26580 0.37440 0.24510
C1 C 0.28100 0.43500 0.39650
C2 C 0.29170 0.39030 0.59140
C3 C 0.30740 0.45520 0.75190
C4 C 0.23280 0.51500 0.76110
C5 C 0.22270 0.56090 0.56840
C6 C 0.30220 0.61010 0.52080
C7 C 0.37660 0.54950 0.51230
C8 C 0.36110 0.48400 0.35360
C9 C 0.38700 0.50510 0.70610
C10 C 0.20680 0.49490 0.40650
H1 H 0.23710 0.36170 0.61940
H2 H 0.33890 0.35330 0.58300
H3 H 0.31570 0.42660 0.89220
H4 H 0.24130 0.55670 0.85970
H5 H 0.17340 0.48580 0.77710
H6 H 0.17360 0.59330 0.57260
H7 H 0.31150 0.65460 0.62580
H8 H 0.29790 0.63970 0.39780
H9 H 0.42820 0.58300 0.48570
H10 H 0.35200 0.51050 0.23170
H11 H 0.40580 0.43970 0.34070
H12 H 0.43620 0.46160 0.69660
H13 H 0.39600 0.54750 0.81790
H14 H 0.15690 0.45790 0.42940
H15 H 0.20010 0.52320 0.28680
H16 H 0.22080 0.34480 0.25800

#END
