# CIF generated by HEAS from Alexandria entry agm005281069 data_agm005281069 _cell_length_a 9.66029 _cell_length_b 10.45225 _cell_length_c 13.15265 _cell_angle_alpha 67.08040 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1223.20067 _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 Ba1 Ba 0.98757 0.61743 0.72844 1.00000 Ba2 Ba 0.01243 0.38257 0.27156 1.00000 Ba3 Ba 0.51243 0.11743 0.72844 1.00000 Ba4 Ba 0.48757 0.88257 0.27156 1.00000 Nb1 Nb 0.11692 0.66184 0.99669 1.00000 Nb2 Nb 0.11658 0.04357 0.24143 1.00000 Nb3 Nb 0.11741 0.28482 0.75902 1.00000 Nb4 Nb 0.11384 0.72933 0.36378 1.00000 Nb5 Nb 0.12284 0.10955 0.63705 1.00000 Nb6 Nb 0.12454 0.98932 0.86725 1.00000 Nb7 Nb 0.12333 0.85655 0.13285 1.00000 Nb8 Nb 0.15498 0.91918 0.50810 1.00000 Nb9 Nb 0.34502 0.41918 0.50810 1.00000 Nb10 Nb 0.37546 0.48932 0.86725 1.00000 Nb11 Nb 0.37667 0.35655 0.13285 1.00000 Nb12 Nb 0.37716 0.60955 0.63705 1.00000 Nb13 Nb 0.38616 0.22933 0.36378 1.00000 Nb14 Nb 0.38259 0.78482 0.75902 1.00000 Nb15 Nb 0.38342 0.54357 0.24143 1.00000 Nb16 Nb 0.38308 0.16184 0.99669 1.00000 Nb17 Nb 0.61692 0.83816 0.00331 1.00000 Nb18 Nb 0.61658 0.45643 0.75857 1.00000 Nb19 Nb 0.61741 0.21518 0.24098 1.00000 Nb20 Nb 0.61384 0.77067 0.63622 1.00000 Nb21 Nb 0.62284 0.39045 0.36295 1.00000 Nb22 Nb 0.62333 0.64345 0.86715 1.00000 Nb23 Nb 0.62454 0.51068 0.13275 1.00000 Nb24 Nb 0.65498 0.58082 0.49190 1.00000 Nb25 Nb 0.84502 0.08082 0.49190 1.00000 Nb26 Nb 0.87546 0.01068 0.13275 1.00000 Nb27 Nb 0.87667 0.14345 0.86715 1.00000 Nb28 Nb 0.87716 0.89045 0.36295 1.00000 Nb29 Nb 0.88616 0.27067 0.63622 1.00000 Nb30 Nb 0.88259 0.71518 0.24098 1.00000 Nb31 Nb 0.88342 0.95643 0.75857 1.00000 Nb32 Nb 0.88308 0.33816 0.00331 1.00000 O1 O 0.00000 0.00000 0.00000 1.00000 O2 O 0.00000 0.50000 0.00000 1.00000 O3 O 0.98643 0.22727 0.50868 1.00000 O4 O 0.01357 0.77273 0.49132 1.00000 O5 O 0.00204 0.57410 0.35927 1.00000 O6 O 0.00110 0.94680 0.61697 1.00000 O7 O 0.00799 0.80920 0.87236 1.00000 O8 O 0.00664 0.68658 0.12172 1.00000 O9 O 0.22850 0.81987 0.99998 1.00000 O10 O 0.24686 0.46684 0.75022 1.00000 O11 O 0.24162 0.22294 0.24824 1.00000 O12 O 0.24511 0.52510 0.12640 1.00000 O13 O 0.24202 0.64250 0.88028 1.00000 O14 O 0.25495 0.27495 0.63120 1.00000 O15 O 0.23939 0.90601 0.37749 1.00000 O16 O 0.25565 0.58555 0.49771 1.00000 O17 O 0.24435 0.08555 0.49771 1.00000 O18 O 0.24505 0.77495 0.63120 1.00000 O19 O 0.26061 0.40601 0.37749 1.00000 O20 O 0.25798 0.14250 0.88028 1.00000 O21 O 0.25489 0.02510 0.12640 1.00000 O22 O 0.25314 0.96684 0.75022 1.00000 O23 O 0.25838 0.72294 0.24824 1.00000 O24 O 0.27150 0.31987 0.99998 1.00000 O25 O 0.49336 0.18658 0.12172 1.00000 O26 O 0.49201 0.30920 0.87236 1.00000 O27 O 0.49796 0.07410 0.35927 1.00000 O28 O 0.49890 0.44680 0.61697 1.00000 O29 O 0.50000 0.50000 0.00000 1.00000 O30 O 0.50000 0.00000 0.00000 1.00000 O31 O 0.48643 0.27273 0.49132 1.00000 O32 O 0.51357 0.72727 0.50868 1.00000 O33 O 0.50110 0.55320 0.38303 1.00000 O34 O 0.50204 0.92590 0.64073 1.00000 O35 O 0.50799 0.69080 0.12764 1.00000 O36 O 0.50664 0.81342 0.87828 1.00000 O37 O 0.72850 0.68013 0.00002 1.00000 O38 O 0.74686 0.03316 0.24978 1.00000 O39 O 0.74162 0.27706 0.75176 1.00000 O40 O 0.74511 0.97490 0.87360 1.00000 O41 O 0.74202 0.85750 0.11972 1.00000 O42 O 0.73939 0.59399 0.62251 1.00000 O43 O 0.75495 0.22505 0.36880 1.00000 O44 O 0.75565 0.91445 0.50229 1.00000 O45 O 0.74435 0.41445 0.50229 1.00000 O46 O 0.76061 0.09399 0.62251 1.00000 O47 O 0.74505 0.72505 0.36880 1.00000 O48 O 0.75489 0.47490 0.87360 1.00000 O49 O 0.75798 0.35750 0.11972 1.00000 O50 O 0.75314 0.53316 0.24978 1.00000 O51 O 0.75838 0.77706 0.75176 1.00000 O52 O 0.77150 0.18013 0.00002 1.00000 O53 O 0.99201 0.19080 0.12764 1.00000 O54 O 0.99336 0.31342 0.87828 1.00000 O55 O 0.99890 0.05320 0.38303 1.00000 O56 O 0.99796 0.42590 0.64073 1.00000