# CIF generated by HEAS from Alexandria entry agm005289528 data_agm005289528 _cell_length_a 11.62216 _cell_length_b 13.50671 _cell_length_c 22.00380 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 3454.09570 _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 0.15864 0.47026 0.38815 1.00000 Ba2 Ba 0.65864 0.52974 0.11185 1.00000 Ba3 Ba 0.34136 0.47026 0.88815 1.00000 Ba4 Ba 0.15864 0.97026 0.11185 1.00000 Ba5 Ba 0.84136 0.02974 0.88815 1.00000 Ba6 Ba 0.84136 0.52974 0.61185 1.00000 Ba7 Ba 0.65864 0.02974 0.38815 1.00000 Ba8 Ba 0.34136 0.97026 0.61185 1.00000 Fe1 Fe 0.10260 0.02785 0.75340 1.00000 Fe2 Fe 0.39740 0.52785 0.24660 1.00000 Fe3 Fe 0.77480 0.27230 0.49563 1.00000 Fe4 Fe 0.72520 0.77230 0.50437 1.00000 Fe5 Fe 0.27480 0.72770 0.00437 1.00000 Fe6 Fe 0.77480 0.77230 0.00437 1.00000 Fe7 Fe 0.39740 0.02785 0.25340 1.00000 Fe8 Fe 0.72520 0.27230 0.99563 1.00000 Fe9 Fe 0.27480 0.22770 0.49563 1.00000 Fe10 Fe 0.22520 0.72770 0.50437 1.00000 Fe11 Fe 0.89740 0.97215 0.24660 1.00000 Fe12 Fe 0.60260 0.97215 0.74660 1.00000 Fe13 Fe 0.60260 0.47215 0.75340 1.00000 Fe14 Fe 0.22520 0.22770 0.99563 1.00000 Fe15 Fe 0.10260 0.52785 0.74660 1.00000 Fe16 Fe 0.89740 0.47215 0.25340 1.00000 Br1 Br 0.27720 0.11186 0.73605 1.00000 Br2 Br 0.60007 0.06138 0.65418 1.00000 Br3 Br 0.81653 0.78099 0.59957 1.00000 Br4 Br 0.68347 0.28099 0.40043 1.00000 Br5 Br 0.18347 0.71901 0.09957 1.00000 Br6 Br 0.10007 0.43862 0.65418 1.00000 Br7 Br 0.68550 0.60363 0.48751 1.00000 Br8 Br 0.05111 0.35865 0.26021 1.00000 Br9 Br 0.44560 0.62859 0.00199 1.00000 Br10 Br 0.44889 0.35865 0.76021 1.00000 Br11 Br 0.94889 0.14135 0.76021 1.00000 Br12 Br 0.31653 0.71901 0.59957 1.00000 Br13 Br 0.15918 0.65968 0.92724 1.00000 Br14 Br 0.10007 0.93862 0.84582 1.00000 Br15 Br 0.22280 0.61186 0.26395 1.00000 Br16 Br 0.08357 0.91625 0.67121 1.00000 Br17 Br 0.55111 0.14135 0.26021 1.00000 Br18 Br 0.89993 0.56138 0.34582 1.00000 Br19 Br 0.65918 0.34032 0.57276 1.00000 Br20 Br 0.39993 0.93862 0.34582 1.00000 Br21 Br 0.81450 0.10363 0.51249 1.00000 Br22 Br 0.68347 0.78099 0.09957 1.00000 Br23 Br 0.81450 0.60363 0.98751 1.00000 Br24 Br 0.58357 0.58375 0.67121 1.00000 Br25 Br 0.31450 0.39637 0.51249 1.00000 Br26 Br 0.77720 0.88814 0.76395 1.00000 Br27 Br 0.08357 0.41625 0.82879 1.00000 Br28 Br 0.94560 0.87141 0.00199 1.00000 Br29 Br 0.05440 0.12859 0.99801 1.00000 Br30 Br 0.41643 0.91625 0.17121 1.00000 Br31 Br 0.89993 0.06138 0.15418 1.00000 Br32 Br 0.18550 0.89637 0.48751 1.00000 Br33 Br 0.65918 0.84032 0.92724 1.00000 Br34 Br 0.55111 0.64135 0.23979 1.00000 Br35 Br 0.18550 0.39637 0.01249 1.00000 Br36 Br 0.58357 0.08375 0.82879 1.00000 Br37 Br 0.41643 0.41625 0.32879 1.00000 Br38 Br 0.31653 0.21901 0.90043 1.00000 Br39 Br 0.34082 0.65968 0.42724 1.00000 Br40 Br 0.34082 0.15968 0.07276 1.00000 Br41 Br 0.27720 0.61186 0.76395 1.00000 Br42 Br 0.94889 0.64135 0.73979 1.00000 Br43 Br 0.44560 0.12859 0.49801 1.00000 Br44 Br 0.05440 0.62859 0.50199 1.00000 Br45 Br 0.15918 0.15968 0.57276 1.00000 Br46 Br 0.91643 0.08375 0.32879 1.00000 Br47 Br 0.68550 0.10363 0.01249 1.00000 Br48 Br 0.91643 0.58375 0.17121 1.00000 Br49 Br 0.18347 0.21901 0.40043 1.00000 Br50 Br 0.44889 0.85865 0.73979 1.00000 Br51 Br 0.05111 0.85865 0.23979 1.00000 Br52 Br 0.94560 0.37141 0.49801 1.00000 Br53 Br 0.55440 0.37141 0.99801 1.00000 Br54 Br 0.77720 0.38814 0.73605 1.00000 Br55 Br 0.72280 0.88814 0.26395 1.00000 Br56 Br 0.55440 0.87141 0.50199 1.00000 Br57 Br 0.22280 0.11186 0.23605 1.00000 Br58 Br 0.84082 0.84032 0.42724 1.00000 Br59 Br 0.60007 0.56138 0.84582 1.00000 Br60 Br 0.84082 0.34032 0.07276 1.00000 Br61 Br 0.39993 0.43862 0.15418 1.00000 Br62 Br 0.31450 0.89637 0.98751 1.00000 Br63 Br 0.81653 0.28099 0.90043 1.00000 Br64 Br 0.72280 0.38814 0.23605 1.00000