# CIF generated by HEAS from Alexandria entry agm005286487 data_agm005286487 _cell_length_a 13.65436 _cell_length_b 13.49326 _cell_length_c 13.53120 _cell_angle_alpha 89.49005 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 2492.91470 _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 Sr1 Sr 0.52734 0.22416 0.28212 1.00000 Sr2 Sr 0.47266 0.22416 0.78212 1.00000 Zr1 Zr 0.60416 0.94438 0.43711 1.00000 Zr2 Zr 0.39584 0.94438 0.93711 1.00000 Zr3 Zr 0.71194 0.92977 0.65093 1.00000 Zr4 Zr 0.28806 0.92977 0.15093 1.00000 Zr5 Zr 0.82076 0.84337 0.45441 1.00000 Zr6 Zr 0.17924 0.84337 0.95441 1.00000 Zr7 Zr 0.30897 0.65768 0.45601 1.00000 Zr8 Zr 0.69103 0.65768 0.95601 1.00000 Zr9 Zr 0.19933 0.56539 0.65428 1.00000 Zr10 Zr 0.80067 0.56539 0.15428 1.00000 Zr11 Zr 0.09461 0.55044 0.43737 1.00000 Zr12 Zr 0.90539 0.55044 0.93737 1.00000 Zr13 Zr 0.60406 0.46224 0.06611 1.00000 Zr14 Zr 0.39594 0.46224 0.56611 1.00000 Zr15 Zr 0.71052 0.44358 0.84965 1.00000 Zr16 Zr 0.28948 0.44358 0.34965 1.00000 Zr17 Zr 0.81852 0.35085 0.04542 1.00000 Zr18 Zr 0.18148 0.35085 0.54542 1.00000 Zr19 Zr 0.69284 0.14641 0.54162 1.00000 Zr20 Zr 0.30716 0.14641 0.04162 1.00000 Zr21 Zr 0.19415 0.05958 0.84609 1.00000 Zr22 Zr 0.80585 0.05958 0.34609 1.00000 Zr23 Zr 0.09512 0.04369 0.06350 1.00000 Zr24 Zr 0.90488 0.04369 0.56350 1.00000 B1 B 0.24407 0.99415 0.99772 1.00000 B2 B 0.75593 0.99415 0.49772 1.00000 B3 B 0.24457 0.50492 0.50189 1.00000 B4 B 0.75543 0.50492 0.00189 1.00000 I1 I 0.38482 0.86790 0.37173 1.00000 I2 I 0.61518 0.86790 0.87173 1.00000 I3 I 0.88390 0.62910 0.36926 1.00000 I4 I 0.11610 0.62910 0.86926 1.00000 I5 I 0.61386 0.36511 0.63548 1.00000 I6 I 0.38614 0.36511 0.13548 1.00000 I7 I 0.88660 0.13417 0.13328 1.00000 I8 I 0.11340 0.13417 0.63328 1.00000 I9 I 0.63139 0.01032 0.22979 1.00000 I10 I 0.36861 0.01032 0.72979 1.00000 Cl1 Cl 0.13147 0.97944 0.23860 1.00000 Cl2 Cl 0.86853 0.97944 0.73860 1.00000 Cl3 Cl 0.87871 0.89984 0.28433 1.00000 Cl4 Cl 0.12129 0.89984 0.78433 1.00000 Cl5 Cl 0.54336 0.87119 0.59774 1.00000 Cl6 Cl 0.45664 0.87119 0.09774 1.00000 Cl7 Cl 0.00845 0.88200 0.02250 1.00000 Cl8 Cl 0.99155 0.88200 0.52250 1.00000 Cl9 Cl 0.33962 0.77676 0.88155 1.00000 Cl10 Cl 0.66038 0.77676 0.38155 1.00000 Cl11 Cl 0.22139 0.75815 0.11855 1.00000 Cl12 Cl 0.77861 0.75815 0.61855 1.00000 Cl13 Cl 0.73365 0.73966 0.12023 1.00000 Cl14 Cl 0.26635 0.73966 0.62023 1.00000 Cl15 Cl 0.15024 0.72178 0.38074 1.00000 Cl16 Cl 0.84976 0.72178 0.88074 1.00000 Cl17 Cl 0.48202 0.62171 0.52279 1.00000 Cl18 Cl 0.51798 0.62171 0.02279 1.00000 Cl19 Cl 0.96917 0.62127 0.09902 1.00000 Cl20 Cl 0.03083 0.62127 0.59902 1.00000 Cl21 Cl 0.63237 0.60163 0.78540 1.00000 Cl22 Cl 0.36763 0.60163 0.28540 1.00000 Cl23 Cl 0.63787 0.51865 0.24067 1.00000 Cl24 Cl 0.36213 0.51865 0.74067 1.00000 Cl25 Cl 0.13063 0.48415 0.26347 1.00000 Cl26 Cl 0.86937 0.48415 0.76347 1.00000 Cl27 Cl 0.12908 0.40097 0.71741 1.00000 Cl28 Cl 0.87092 0.40097 0.21741 1.00000 Cl29 Cl 0.53387 0.38860 0.90419 1.00000 Cl30 Cl 0.46613 0.38860 0.40419 1.00000 Cl31 Cl 0.98815 0.38439 0.97861 1.00000 Cl32 Cl 0.01185 0.38439 0.47861 1.00000 Cl33 Cl 0.65251 0.28214 0.11574 1.00000 Cl34 Cl 0.34749 0.28214 0.61574 1.00000 Cl35 Cl 0.23246 0.26545 0.38393 1.00000 Cl36 Cl 0.76754 0.26545 0.88393 1.00000 Cl37 Cl 0.72790 0.23673 0.37595 1.00000 Cl38 Cl 0.27210 0.23673 0.87595 1.00000 Cl39 Cl 0.84638 0.21605 0.61581 1.00000 Cl40 Cl 0.15362 0.21605 0.11581 1.00000 Cl41 Cl 0.48519 0.11386 0.97531 1.00000 Cl42 Cl 0.51481 0.11386 0.47531 1.00000 Cl43 Cl 0.03091 0.12234 0.90354 1.00000 Cl44 Cl 0.96909 0.12234 0.40354 1.00000 Cl45 Cl 0.36519 0.09474 0.21551 1.00000 Cl46 Cl 0.63481 0.09474 0.71551 1.00000