# CIF generated by HEAS from Alexandria entry agm005265656 data_agm005265656 _cell_length_a 7.62686 _cell_length_b 14.63103 _cell_length_c 10.74696 _cell_angle_alpha 92.70298 _cell_angle_beta 69.20709 _cell_angle_gamma 97.48829 _cell_volume 1111.57139 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 Ti 0.02534 0.24272 0.07081 1.00000 Ti2 Ti 0.19803 0.90775 0.05795 1.00000 Ti3 Ti 0.01343 0.90505 0.42554 1.00000 Ti4 Ti 0.00948 0.53620 0.75006 1.00000 Ti5 Ti 0.34962 0.57360 0.07648 1.00000 Ti6 Ti 0.15598 0.13026 0.24980 1.00000 Ti7 Ti 0.15864 0.75968 0.57628 1.00000 Ti8 Ti 0.32385 0.79714 0.24994 1.00000 Ti9 Ti 0.17470 0.57365 0.42372 1.00000 Ti10 Ti 0.13530 0.42558 0.94205 1.00000 Ti11 Ti 0.17735 0.20307 0.75020 1.00000 Ti12 Ti 0.34702 0.24198 0.42706 1.00000 Ti13 Ti 0.31991 0.42828 0.57446 1.00000 Ti14 Ti 0.50637 0.90800 0.44113 1.00000 Ti15 Ti 0.52381 0.24198 0.07311 1.00000 Ti16 Ti 0.68906 0.90520 0.07463 1.00000 Ti17 Ti 0.49163 0.46724 0.25031 1.00000 Ti18 Ti 0.48737 0.09071 0.57063 1.00000 Ti19 Ti 0.64481 0.75969 0.57634 1.00000 Ti20 Ti 0.68853 0.57365 0.42366 1.00000 Ti21 Ti 0.65920 0.13050 0.25014 1.00000 Ti22 Ti 0.50863 0.53624 0.75006 1.00000 Ti23 Ti 0.47269 0.75970 0.92359 1.00000 Ti24 Ti 0.30800 0.09061 0.92919 1.00000 Ti25 Ti 0.86064 0.57363 0.07641 1.00000 Ti26 Ti 0.82470 0.79710 0.24994 1.00000 Ti27 Ti 0.82696 0.42533 0.55887 1.00000 Ti28 Ti 0.67414 0.20283 0.74986 1.00000 Ti29 Ti 0.64428 0.42813 0.92537 1.00000 Ti30 Ti 0.84170 0.86609 0.74969 1.00000 Ti31 Ti 0.84596 0.24263 0.42937 1.00000 Ti32 Ti 0.98631 0.09135 0.57294 1.00000 Ti33 Ti 0.80952 0.09136 0.92689 1.00000 Ti34 Ti 0.98371 0.75973 0.92352 1.00000 N1 N 0.08642 0.84573 0.24990 1.00000 N2 N 0.27464 0.52295 0.25011 1.00000 N3 N 0.05869 0.81038 0.74989 1.00000 N4 N 0.58665 0.84573 0.24964 1.00000 N5 N 0.24691 0.48761 0.75010 1.00000 N6 N 0.41977 0.17952 0.25003 1.00000 N7 N 0.59660 0.81035 0.74992 1.00000 N8 N 0.41375 0.15534 0.75006 1.00000 N9 N 0.73673 0.52298 0.25008 1.00000 N10 N 0.91959 0.17799 0.24994 1.00000 N11 N 0.74668 0.48760 0.75036 1.00000 N12 N 0.91356 0.15381 0.74997 1.00000 O1 O 0.11284 0.54972 0.04910 1.00000 O2 O 0.03550 0.36254 0.10796 1.00000 O3 O 0.43552 0.87510 0.06478 1.00000 O4 O 0.37109 0.69875 0.11978 1.00000 O5 O 0.08464 0.20759 0.43554 1.00000 O6 O 0.19585 0.03233 0.12360 1.00000 O7 O 0.26930 0.20891 0.06685 1.00000 O8 O 0.08118 0.45810 0.56517 1.00000 O9 O 0.10727 0.63457 0.61978 1.00000 O10 O 0.25215 0.87524 0.43483 1.00000 O11 O 0.22606 0.69876 0.38022 1.00000 O12 O 0.06637 0.03187 0.38271 1.00000 O13 O 0.24870 0.12574 0.56446 1.00000 O14 O 0.41450 0.53889 0.44046 1.00000 O15 O 0.22049 0.78361 0.95090 1.00000 O16 O 0.29784 0.97080 0.89204 1.00000 O17 O 0.53216 0.36480 0.11960 1.00000 O18 O 0.60485 0.53817 0.05933 1.00000 O19 O 0.13749 0.30101 0.87640 1.00000 O20 O 0.06403 0.12442 0.93315 1.00000 O21 O 0.42225 0.78490 0.54791 1.00000 O22 O 0.26696 0.30146 0.61729 1.00000 O23 O 0.43765 0.97105 0.60754 1.00000 O24 O 0.39998 0.36494 0.38080 1.00000 O25 O 0.69969 0.03207 0.11707 1.00000 O26 O 0.85848 0.69880 0.11976 1.00000 O27 O 0.57058 0.03261 0.37606 1.00000 O28 O 0.58514 0.20908 0.43316 1.00000 O29 O 0.76914 0.20777 0.06462 1.00000 O30 O 0.39582 0.45810 0.93550 1.00000 O31 O 0.59024 0.63452 0.61975 1.00000 O32 O 0.93751 0.87524 0.06450 1.00000 O33 O 0.58292 0.45797 0.56483 1.00000 O34 O 0.74309 0.69881 0.38025 1.00000 O35 O 0.75041 0.87536 0.43517 1.00000 O36 O 0.47485 0.63453 0.88024 1.00000 O37 O 0.89568 0.36228 0.39246 1.00000 O38 O 0.80117 0.96854 0.88040 1.00000 O39 O 0.74819 0.12425 0.56684 1.00000 O40 O 0.56419 0.12557 0.93538 1.00000 O41 O 0.91108 0.54843 0.45209 1.00000 O42 O 0.72849 0.79517 0.94067 1.00000 O43 O 0.93335 0.96839 0.61920 1.00000 O44 O 0.91883 0.79445 0.55954 1.00000 O45 O 0.63364 0.30126 0.88293 1.00000 O46 O 0.76275 0.30072 0.62394 1.00000 O47 O 0.96224 0.63458 0.88022 1.00000 O48 O 0.89782 0.45824 0.93522 1.00000