# CIF generated by HEAS from Alexandria entry agm005247334 data_agm005247334 _cell_length_a 14.11569 _cell_length_b 13.85649 _cell_length_c 20.43429 _cell_angle_alpha 51.96100 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 3147.86151 _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 0.29351 0.18444 0.29310 1.00000 Ba2 Ba 0.92107 0.26226 0.18457 1.00000 Ba3 Ba 0.51769 0.26819 0.03288 1.00000 Ba4 Ba 0.01769 0.73181 0.46712 1.00000 Ba5 Ba 0.42107 0.73774 0.31543 1.00000 Ba6 Ba 0.79351 0.81556 0.20690 1.00000 Ba7 Ba 0.20649 0.18444 0.79310 1.00000 Ba8 Ba 0.57893 0.26226 0.68457 1.00000 Ba9 Ba 0.98231 0.26819 0.53288 1.00000 Ba10 Ba 0.48231 0.73181 0.96712 1.00000 Ba11 Ba 0.07893 0.73774 0.81543 1.00000 Ba12 Ba 0.70649 0.81556 0.70690 1.00000 Y1 Y 0.65231 0.83775 0.46028 1.00000 Y2 Y 0.30948 0.68753 0.63030 1.00000 Y3 Y 0.15231 0.16225 0.03972 1.00000 Y4 Y 0.80948 0.31247 0.86970 1.00000 Y5 Y 0.19052 0.68753 0.13030 1.00000 Y6 Y 0.84769 0.83775 0.96028 1.00000 Y7 Y 0.69052 0.31247 0.36970 1.00000 Y8 Y 0.34769 0.16225 0.53972 1.00000 I1 I 0.70591 0.03236 0.48228 1.00000 I2 I 0.41401 0.40587 0.10776 1.00000 I3 I 0.06739 0.05142 0.34963 1.00000 I4 I 0.09808 0.38379 0.02220 1.00000 I5 I 0.31074 0.68389 0.77837 1.00000 I6 I 0.86832 0.56374 0.80859 1.00000 I7 I 0.53080 0.73338 0.61928 1.00000 I8 I 0.49631 0.98551 0.33841 1.00000 I9 I 0.81526 0.70641 0.57734 1.00000 I10 I 0.10010 0.66493 0.65603 1.00000 I11 I 0.27109 0.73626 0.46163 1.00000 I12 I 0.79473 0.94116 0.31922 1.00000 I13 I 0.29473 0.05884 0.18078 1.00000 I14 I 0.77109 0.26374 0.03837 1.00000 I15 I 0.60010 0.33507 0.84397 1.00000 I16 I 0.31526 0.29359 0.92266 1.00000 I17 I 0.99631 0.01449 0.16159 1.00000 I18 I 0.03080 0.26662 0.88072 1.00000 I19 I 0.36832 0.43626 0.69141 1.00000 I20 I 0.59808 0.61621 0.47780 1.00000 I21 I 0.81074 0.31611 0.72163 1.00000 I22 I 0.56739 0.94858 0.15037 1.00000 I23 I 0.91401 0.59413 0.39224 1.00000 I24 I 0.20591 0.96764 0.01772 1.00000 I25 I 0.79409 0.03236 0.98228 1.00000 I26 I 0.08599 0.40587 0.60776 1.00000 I27 I 0.43261 0.05142 0.84963 1.00000 I28 I 0.18926 0.68389 0.27837 1.00000 I29 I 0.40192 0.38379 0.52220 1.00000 I30 I 0.63168 0.56374 0.30859 1.00000 I31 I 0.96920 0.73338 0.11928 1.00000 I32 I 0.00369 0.98551 0.83841 1.00000 I33 I 0.68474 0.70641 0.07734 1.00000 I34 I 0.39990 0.66493 0.15603 1.00000 I35 I 0.22891 0.73626 0.96163 1.00000 I36 I 0.70527 0.94116 0.81922 1.00000 I37 I 0.20527 0.05884 0.68078 1.00000 I38 I 0.72891 0.26374 0.53837 1.00000 I39 I 0.89990 0.33507 0.34397 1.00000 I40 I 0.18474 0.29359 0.42266 1.00000 I41 I 0.50369 0.01449 0.66159 1.00000 I42 I 0.46920 0.26662 0.38072 1.00000 I43 I 0.13168 0.43626 0.19141 1.00000 I44 I 0.68926 0.31611 0.22163 1.00000 I45 I 0.90192 0.61621 0.97780 1.00000 I46 I 0.93261 0.94858 0.65037 1.00000 I47 I 0.58599 0.59413 0.89224 1.00000 I48 I 0.29409 0.96764 0.51772 1.00000