# CIF generated by HEAS from Alexandria entry agm020050673 data_agm020050673 _cell_length_a 11.63718 _cell_length_b 11.63718 _cell_length_c 13.64682 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1848.10557 _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 0.26777 0.76777 0.75000 1.00000 Ba2 Ba 0.76777 0.73223 0.25000 1.00000 Ba3 Ba 0.23223 0.26777 0.75000 1.00000 Ba4 Ba 0.26777 0.76777 0.25000 1.00000 Ba5 Ba 0.76777 0.73223 0.75000 1.00000 Ba6 Ba 0.23223 0.26777 0.25000 1.00000 Ba7 Ba 0.73223 0.23223 0.25000 1.00000 Ba8 Ba 0.73223 0.23223 0.75000 1.00000 Si1 Si 0.00000 0.00000 0.75000 1.00000 Si2 Si 0.00000 0.00000 0.25000 1.00000 Si3 Si 0.50000 0.50000 0.75000 1.00000 Si4 Si 0.50000 0.50000 0.25000 1.00000 Sb1 Sb 0.59145 0.86851 0.50000 1.00000 Sb2 Sb 0.86851 0.40855 0.00000 1.00000 Sb3 Sb 0.90855 0.36851 0.50000 1.00000 Sb4 Sb 0.36851 0.09145 0.00000 1.00000 Sb5 Sb 0.40855 0.13149 0.50000 1.00000 Sb6 Sb 0.13149 0.59145 0.00000 1.00000 Sb7 Sb 0.09145 0.63149 0.50000 1.00000 Sb8 Sb 0.63149 0.90855 0.00000 1.00000 Sb9 Sb 0.65158 0.53654 0.50000 1.00000 Sb10 Sb 0.53654 0.34842 0.00000 1.00000 Sb11 Sb 0.84842 0.03654 0.50000 1.00000 Sb12 Sb 0.03654 0.15158 0.00000 1.00000 Sb13 Sb 0.34842 0.46346 0.50000 1.00000 Sb14 Sb 0.46346 0.65158 0.00000 1.00000 Sb15 Sb 0.15158 0.96346 0.50000 1.00000 Sb16 Sb 0.96346 0.84842 0.00000 1.00000 S1 S 0.75360 0.72570 0.50000 1.00000 S2 S 0.72570 0.24640 0.00000 1.00000 S3 S 0.74640 0.22570 0.50000 1.00000 S4 S 0.22570 0.25360 0.00000 1.00000 S5 S 0.24640 0.27430 0.50000 1.00000 S6 S 0.27430 0.75360 0.00000 1.00000 S7 S 0.25360 0.77430 0.50000 1.00000 S8 S 0.77430 0.74640 0.00000 1.00000 S9 S 0.85503 0.97710 0.84485 1.00000 S10 S 0.97710 0.14497 0.34485 1.00000 S11 S 0.64497 0.47710 0.84485 1.00000 S12 S 0.47710 0.35503 0.34485 1.00000 S13 S 0.85503 0.97710 0.15515 1.00000 S14 S 0.97710 0.14497 0.65515 1.00000 S15 S 0.64497 0.47710 0.15515 1.00000 S16 S 0.47710 0.35503 0.65515 1.00000 S17 S 0.14497 0.02290 0.15515 1.00000 S18 S 0.02290 0.85503 0.65515 1.00000 S19 S 0.35503 0.52290 0.15515 1.00000 S20 S 0.52290 0.64497 0.65515 1.00000 S21 S 0.14497 0.02290 0.84485 1.00000 S22 S 0.02290 0.85503 0.34485 1.00000 S23 S 0.35503 0.52290 0.84485 1.00000 S24 S 0.52290 0.64497 0.34485 1.00000 S25 S 0.68699 0.97467 0.63304 1.00000 S26 S 0.97467 0.31301 0.13304 1.00000 S27 S 0.81301 0.47467 0.63304 1.00000 S28 S 0.47467 0.18699 0.13304 1.00000 S29 S 0.68699 0.97467 0.36696 1.00000 S30 S 0.97467 0.31301 0.86696 1.00000 S31 S 0.81301 0.47467 0.36696 1.00000 S32 S 0.47467 0.18699 0.86696 1.00000 S33 S 0.31301 0.02533 0.36696 1.00000 S34 S 0.02533 0.68699 0.86696 1.00000 S35 S 0.18699 0.52533 0.36696 1.00000 S36 S 0.52533 0.81301 0.86696 1.00000 S37 S 0.31301 0.02533 0.63304 1.00000 S38 S 0.02533 0.68699 0.13304 1.00000 S39 S 0.18699 0.52533 0.63304 1.00000 S40 S 0.52533 0.81301 0.13304 1.00000