# CIF generated by HEAS from Alexandria entry agm005273678 data_agm005273678 _cell_length_a 8.96345 _cell_length_b 11.62942 _cell_length_c 14.09130 _cell_angle_alpha 80.71591 _cell_angle_beta 71.45503 _cell_angle_gamma 67.33279 _cell_volume 1283.77219 _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 0.68121 0.79040 0.83267 1.00000 Ba2 Ba 0.30428 0.70960 0.66733 1.00000 Ba3 Ba 0.31879 0.20960 0.16733 1.00000 Ba4 Ba 0.69572 0.29040 0.33267 1.00000 H1 H 0.25647 0.96449 0.88647 1.00000 H2 H 0.10744 0.53551 0.61353 1.00000 H3 H 0.74353 0.03551 0.11353 1.00000 H4 H 0.89256 0.46449 0.38647 1.00000 H5 H 0.27397 0.91701 0.99374 1.00000 H6 H 0.18473 0.58299 0.50626 1.00000 H7 H 0.72603 0.08299 0.00626 1.00000 H8 H 0.81527 0.41701 0.49374 1.00000 H9 H 0.64864 0.79638 0.59680 1.00000 H10 H 0.04182 0.70362 0.90320 1.00000 H11 H 0.35136 0.20362 0.40320 1.00000 H12 H 0.95818 0.29638 0.09680 1.00000 H13 H 0.50097 0.91360 0.64886 1.00000 H14 H 0.06342 0.58640 0.85114 1.00000 H15 H 0.49903 0.08640 0.35114 1.00000 H16 H 0.93658 0.41360 0.14886 1.00000 H17 H 0.72240 0.07186 0.79280 1.00000 H18 H 0.58706 0.42814 0.70720 1.00000 H19 H 0.27760 0.92814 0.20720 1.00000 H20 H 0.41294 0.57186 0.29280 1.00000 H21 H 0.55738 0.09158 0.88362 1.00000 H22 H 0.53257 0.40842 0.61638 1.00000 H23 H 0.44262 0.90842 0.11638 1.00000 H24 H 0.46743 0.59158 0.38362 1.00000 H25 H 0.33350 0.68992 0.90902 1.00000 H26 H 0.93244 0.81008 0.59098 1.00000 H27 H 0.66650 0.31008 0.09098 1.00000 H28 H 0.06756 0.18992 0.40902 1.00000 H29 H 0.48689 0.57479 0.85960 1.00000 H30 H 0.92128 0.92521 0.64040 1.00000 H31 H 0.51311 0.42521 0.14040 1.00000 H32 H 0.07872 0.07479 0.35960 1.00000 H33 H 0.67990 0.90238 0.04085 1.00000 H34 H 0.62312 0.59762 0.45915 1.00000 H35 H 0.32010 0.09762 0.95915 1.00000 H36 H 0.37688 0.40238 0.54085 1.00000 H37 H 0.71134 0.76079 0.07370 1.00000 H38 H 0.54583 0.73921 0.42630 1.00000 H39 H 0.28866 0.23921 0.92630 1.00000 H40 H 0.45417 0.26079 0.57370 1.00000 Ru1 Ru 0.90042 0.36970 0.83871 1.00000 Ru2 Ru 0.10882 0.13030 0.66129 1.00000 Ru3 Ru 0.09958 0.63030 0.16129 1.00000 Ru4 Ru 0.89118 0.86970 0.33871 1.00000 Cl1 Cl 0.92314 0.22004 0.97689 1.00000 Cl2 Cl 0.12007 0.27996 0.52311 1.00000 Cl3 Cl 0.07686 0.77996 0.02311 1.00000 Cl4 Cl 0.87993 0.72004 0.47689 1.00000 Cl5 Cl 0.86135 0.53352 0.71104 1.00000 Cl6 Cl 0.10591 0.96648 0.78896 1.00000 Cl7 Cl 0.13865 0.46648 0.28896 1.00000 Cl8 Cl 0.89409 0.03352 0.21104 1.00000 Cl9 Cl 0.76920 0.52330 0.95789 1.00000 Cl10 Cl 0.25039 0.97670 0.54211 1.00000 Cl11 Cl 0.23080 0.47670 0.04211 1.00000 Cl12 Cl 0.74961 0.02330 0.45789 1.00000 Cl13 Cl 0.62741 0.36692 0.85764 1.00000 Cl14 Cl 0.85197 0.13308 0.64236 1.00000 Cl15 Cl 0.37259 0.63308 0.14236 1.00000 Cl16 Cl 0.14803 0.86692 0.35764 1.00000 Cl17 Cl 0.16284 0.38825 0.82804 1.00000 Cl18 Cl 0.37914 0.11175 0.67196 1.00000 Cl19 Cl 0.83716 0.61175 0.17196 1.00000 Cl20 Cl 0.62086 0.88825 0.32804 1.00000 O1 O 0.00215 0.25000 0.75000 1.00000 O2 O 0.99785 0.75000 0.25000 1.00000 O3 O 0.33132 0.94870 0.92960 1.00000 O4 O 0.20962 0.55130 0.57040 1.00000 O5 O 0.66868 0.05130 0.07040 1.00000 O6 O 0.79038 0.44870 0.42960 1.00000 O7 O 0.55536 0.82211 0.65887 1.00000 O8 O 0.03634 0.67789 0.84113 1.00000 O9 O 0.44464 0.17789 0.34113 1.00000 O10 O 0.96366 0.32211 0.15887 1.00000 O11 O 0.66536 0.02786 0.84942 1.00000 O12 O 0.54265 0.47214 0.65058 1.00000 O13 O 0.33464 0.97214 0.15058 1.00000 O14 O 0.45735 0.52786 0.34942 1.00000 O15 O 0.42854 0.66514 0.84797 1.00000 O16 O 0.94164 0.83486 0.65203 1.00000 O17 O 0.57146 0.33486 0.15203 1.00000 O18 O 0.05836 0.16514 0.34797 1.00000 O19 O 0.65074 0.83042 0.03366 1.00000 O20 O 0.51482 0.66958 0.46634 1.00000 O21 O 0.34926 0.16958 0.96634 1.00000 O22 O 0.48518 0.33042 0.53366 1.00000