# CIF generated by HEAS from Alexandria entry agm007751985 data_agm007751985 _cell_length_a 13.70242 _cell_length_b 13.70242 _cell_length_c 12.62577 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 2370.56780 _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 0.50000 0.00000 0.85699 1.00000 Ba2 Ba 0.00000 0.50000 0.14301 1.00000 Ba3 Ba 0.37262 0.12738 0.50157 1.00000 Ba4 Ba 0.12738 0.62738 0.49843 1.00000 Ba5 Ba 0.62738 0.87262 0.50157 1.00000 Ba6 Ba 0.87262 0.37262 0.49843 1.00000 Ba7 Ba 0.40712 0.29198 0.00294 1.00000 Ba8 Ba 0.09288 0.79198 0.99706 1.00000 Ba9 Ba 0.59288 0.70802 0.00294 1.00000 Ba10 Ba 0.90712 0.20802 0.99706 1.00000 Ba11 Ba 0.29198 0.59288 0.99706 1.00000 Ba12 Ba 0.20802 0.09288 0.00294 1.00000 Ba13 Ba 0.70802 0.40712 0.99706 1.00000 Ba14 Ba 0.79198 0.90712 0.00294 1.00000 Ba15 Ba 0.50000 0.00000 0.20883 1.00000 Ba16 Ba 0.00000 0.50000 0.79117 1.00000 Ba17 Ba 0.29320 0.42120 0.71084 1.00000 Ba18 Ba 0.20680 0.92120 0.28916 1.00000 Ba19 Ba 0.70680 0.57880 0.71084 1.00000 Ba20 Ba 0.79320 0.07880 0.28916 1.00000 Ba21 Ba 0.42120 0.70680 0.28916 1.00000 Ba22 Ba 0.07880 0.20680 0.71084 1.00000 Ba23 Ba 0.57880 0.29320 0.28916 1.00000 Ba24 Ba 0.92120 0.79320 0.71084 1.00000 Ba25 Ba 0.80056 0.07224 0.68258 1.00000 Ba26 Ba 0.69944 0.57224 0.31742 1.00000 Ba27 Ba 0.19944 0.92776 0.68258 1.00000 Ba28 Ba 0.30056 0.42776 0.31742 1.00000 Ba29 Ba 0.07224 0.19944 0.31742 1.00000 Ba30 Ba 0.42776 0.69944 0.68258 1.00000 Ba31 Ba 0.92776 0.80056 0.31742 1.00000 Ba32 Ba 0.57224 0.30056 0.68258 1.00000 Sb1 Sb 0.00000 0.00000 0.85795 1.00000 Sb2 Sb 0.50000 0.50000 0.14205 1.00000 Sb3 Sb 0.00000 0.00000 0.14205 1.00000 Sb4 Sb 0.50000 0.50000 0.85795 1.00000 Sb5 Sb 0.14346 0.35654 0.96375 1.00000 Sb6 Sb 0.35654 0.85654 0.03625 1.00000 Sb7 Sb 0.85654 0.64346 0.96375 1.00000 Sb8 Sb 0.64346 0.14346 0.03625 1.00000 Sb9 Sb 0.12602 0.37398 0.51218 1.00000 Sb10 Sb 0.37398 0.87398 0.48782 1.00000 Sb11 Sb 0.87398 0.62602 0.51218 1.00000 Sb12 Sb 0.62602 0.12602 0.48782 1.00000 Sb13 Sb 0.33411 0.16589 0.76413 1.00000 Sb14 Sb 0.16589 0.66589 0.23587 1.00000 Sb15 Sb 0.66589 0.83411 0.76413 1.00000 Sb16 Sb 0.83411 0.33411 0.23587 1.00000 Sb17 Sb 0.32001 0.17999 0.24126 1.00000 Sb18 Sb 0.17999 0.67999 0.75874 1.00000 Sb19 Sb 0.67999 0.82001 0.24126 1.00000 Sb20 Sb 0.82001 0.32001 0.75874 1.00000 Sb21 Sb 0.00000 0.00000 0.50000 1.00000 Sb22 Sb 0.50000 0.50000 0.50000 1.00000