# CIF generated by HEAS from Alexandria entry agm001817985 data_agm001817985 _cell_length_a 17.48272 _cell_length_b 17.48272 _cell_length_c 17.48272 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 4113.43646 _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 Cd1 Cd 0.75000 0.37500 0.12500 1.00000 Cd2 Cd 0.87500 0.75000 0.12500 1.00000 Cd3 Cd 0.37500 0.75000 0.62500 1.00000 Cd4 Cd 0.25000 0.12500 0.37500 1.00000 Cd5 Cd 0.87500 0.12500 0.25000 1.00000 Cd6 Cd 0.37500 0.62500 0.25000 1.00000 Cd7 Cd 0.62500 0.37500 0.75000 1.00000 Cd8 Cd 0.12500 0.87500 0.75000 1.00000 Cd9 Cd 0.75000 0.87500 0.62500 1.00000 Cd10 Cd 0.62500 0.25000 0.37500 1.00000 Cd11 Cd 0.12500 0.25000 0.87500 1.00000 Cd12 Cd 0.25000 0.62500 0.87500 1.00000 Br1 Br 0.12500 0.37500 0.25000 1.00000 Br2 Br 0.00000 0.50000 0.00000 1.00000 Br3 Br 0.00000 0.00000 0.00000 1.00000 Br4 Br 0.37500 0.25000 0.12500 1.00000 Br5 Br 0.50000 0.00000 0.50000 1.00000 Br6 Br 0.50000 0.50000 0.00000 1.00000 Br7 Br 0.12500 0.75000 0.37500 1.00000 Br8 Br 0.75000 0.12500 0.87500 1.00000 Br9 Br 0.75000 0.62500 0.37500 1.00000 Br10 Br 0.37500 0.12500 0.75000 1.00000 Br11 Br 0.62500 0.87500 0.25000 1.00000 Br12 Br 0.50000 0.50000 0.50000 1.00000 Br13 Br 0.50000 0.00000 0.00000 1.00000 Br14 Br 0.00000 0.00000 0.50000 1.00000 Br15 Br 0.25000 0.37500 0.62500 1.00000 Br16 Br 0.25000 0.87500 0.12500 1.00000 Br17 Br 0.00000 0.50000 0.50000 1.00000 Br18 Br 0.87500 0.25000 0.62500 1.00000 Br19 Br 0.62500 0.75000 0.87500 1.00000 Br20 Br 0.87500 0.62500 0.75000 1.00000 Ba1 Ba 0.72288 0.12917 0.04690 1.00000 Ba2 Ba 0.32401 0.54690 0.41772 1.00000 Ba3 Ba 0.95310 0.37083 0.27712 1.00000 Ba4 Ba 0.54690 0.22288 0.12917 1.00000 Ba5 Ba 0.59371 0.72288 0.67599 1.00000 Ba6 Ba 0.95310 0.58228 0.17599 1.00000 Ba7 Ba 0.32401 0.77712 0.40629 1.00000 Ba8 Ba 0.08228 0.90629 0.12917 1.00000 Ba9 Ba 0.58228 0.95310 0.67599 1.00000 Ba10 Ba 0.72288 0.59371 0.17599 1.00000 Ba11 Ba 0.77712 0.45310 0.37083 1.00000 Ba12 Ba 0.82401 0.91772 0.04690 1.00000 Ba13 Ba 0.12917 0.72288 0.54690 1.00000 Ba14 Ba 0.37083 0.41772 0.09371 1.00000 Ba15 Ba 0.09371 0.91772 0.37083 1.00000 Ba16 Ba 0.40629 0.12917 0.58228 1.00000 Ba17 Ba 0.09371 0.17599 0.22288 1.00000 Ba18 Ba 0.45310 0.67599 0.08228 1.00000 Ba19 Ba 0.82401 0.90629 0.27712 1.00000 Ba20 Ba 0.12917 0.40629 0.08228 1.00000 Ba21 Ba 0.37083 0.95310 0.77712 1.00000 Ba22 Ba 0.58228 0.62917 0.40629 1.00000 Ba23 Ba 0.91772 0.82401 0.54690 1.00000 Ba24 Ba 0.77712 0.32401 0.90629 1.00000 Ba25 Ba 0.41772 0.37083 0.59371 1.00000 Ba26 Ba 0.08228 0.17599 0.45310 1.00000 Ba27 Ba 0.22288 0.67599 0.09371 1.00000 Ba28 Ba 0.17599 0.09371 0.72288 1.00000 Ba29 Ba 0.62917 0.04690 0.22288 1.00000 Ba30 Ba 0.87083 0.59371 0.91772 1.00000 Ba31 Ba 0.54690 0.32401 0.91772 1.00000 Ba32 Ba 0.59371 0.87083 0.41772 1.00000 Ba33 Ba 0.90629 0.82401 0.77712 1.00000 Ba34 Ba 0.90629 0.08228 0.62917 1.00000 Ba35 Ba 0.87083 0.27712 0.45310 1.00000 Ba36 Ba 0.17599 0.08228 0.95310 1.00000 Ba37 Ba 0.62917 0.58228 0.90629 1.00000 Ba38 Ba 0.41772 0.04690 0.32401 1.00000 Ba39 Ba 0.27712 0.40629 0.82401 1.00000 Ba40 Ba 0.22288 0.54690 0.62917 1.00000 Ba41 Ba 0.91772 0.09371 0.87083 1.00000 Ba42 Ba 0.67599 0.22288 0.59371 1.00000 Ba43 Ba 0.45310 0.77712 0.87083 1.00000 Ba44 Ba 0.04690 0.41772 0.82401 1.00000 Ba45 Ba 0.40629 0.27712 0.32401 1.00000 Ba46 Ba 0.04690 0.62917 0.72288 1.00000 Ba47 Ba 0.67599 0.45310 0.58228 1.00000 Ba48 Ba 0.27712 0.87083 0.95310 1.00000