# CIF generated by HEAS from Alexandria entry agm005258221 data_agm005258221 _cell_length_a 13.19005 _cell_length_b 13.29708 _cell_length_c 14.22327 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 2494.60739 _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 Ti1 Ti 0.93681 0.86772 0.99731 1.00000 Ti2 Ti 0.06319 0.36772 0.50269 1.00000 Ti3 Ti 0.06319 0.13228 0.00269 1.00000 Ti4 Ti 0.56319 0.13228 0.49731 1.00000 Ti5 Ti 0.93681 0.63228 0.49731 1.00000 Ti6 Ti 0.56319 0.36772 0.99731 1.00000 Ti7 Ti 0.43681 0.86772 0.50269 1.00000 Ti8 Ti 0.43681 0.63228 0.00269 1.00000 P1 P 0.68548 0.06551 0.70997 1.00000 P2 P 0.18548 0.43449 0.29003 1.00000 P3 P 0.81452 0.56551 0.70997 1.00000 P4 P 0.81452 0.93449 0.20997 1.00000 P5 P 0.68548 0.43449 0.20997 1.00000 P6 P 0.31452 0.56551 0.79003 1.00000 P7 P 0.18548 0.06551 0.79003 1.00000 P8 P 0.31452 0.93449 0.29003 1.00000 Cl1 Cl 0.22627 0.16664 0.03184 1.00000 Cl2 Cl 0.77165 0.18437 0.73675 1.00000 Cl3 Cl 0.87946 0.97134 0.33086 1.00000 Cl4 Cl 0.40202 0.04877 0.54411 1.00000 Cl5 Cl 0.78140 0.95497 0.67928 1.00000 Cl6 Cl 0.77373 0.66664 0.46816 1.00000 Cl7 Cl 0.09798 0.54877 0.54411 1.00000 Cl8 Cl 0.12054 0.47134 0.16914 1.00000 Cl9 Cl 0.48700 0.72366 0.43586 1.00000 Cl10 Cl 0.51300 0.27634 0.56414 1.00000 Cl11 Cl 0.50490 0.16440 0.35282 1.00000 Cl12 Cl 0.48700 0.77634 0.93586 1.00000 Cl13 Cl 0.77165 0.31563 0.23675 1.00000 Cl14 Cl 0.01300 0.22366 0.43586 1.00000 Cl15 Cl 0.12054 0.02866 0.66914 1.00000 Cl16 Cl 0.27373 0.83336 0.53184 1.00000 Cl17 Cl 0.99510 0.83560 0.85282 1.00000 Cl18 Cl 0.21860 0.04503 0.32072 1.00000 Cl19 Cl 0.00490 0.33560 0.64718 1.00000 Cl20 Cl 0.72627 0.33336 0.96816 1.00000 Cl21 Cl 0.50490 0.33560 0.85282 1.00000 Cl22 Cl 0.59798 0.95123 0.45589 1.00000 Cl23 Cl 0.27373 0.66664 0.03184 1.00000 Cl24 Cl 0.22835 0.81563 0.26325 1.00000 Cl25 Cl 0.28140 0.95497 0.82072 1.00000 Cl26 Cl 0.98700 0.77634 0.56414 1.00000 Cl27 Cl 0.21860 0.45497 0.82072 1.00000 Cl28 Cl 0.22627 0.33336 0.53184 1.00000 Cl29 Cl 0.90202 0.04877 0.95589 1.00000 Cl30 Cl 0.22835 0.68437 0.76325 1.00000 Cl31 Cl 0.09798 0.95123 0.04411 1.00000 Cl32 Cl 0.77373 0.83336 0.96816 1.00000 Cl33 Cl 0.71860 0.45497 0.67928 1.00000 Cl34 Cl 0.78140 0.54503 0.17928 1.00000 Cl35 Cl 0.37946 0.52866 0.66914 1.00000 Cl36 Cl 0.49510 0.66440 0.14718 1.00000 Cl37 Cl 0.71860 0.04503 0.17928 1.00000 Cl38 Cl 0.87946 0.52866 0.83086 1.00000 Cl39 Cl 0.28140 0.54503 0.32072 1.00000 Cl40 Cl 0.72627 0.16664 0.46816 1.00000 Cl41 Cl 0.62054 0.47134 0.33086 1.00000 Cl42 Cl 0.99510 0.66440 0.35282 1.00000 Cl43 Cl 0.59798 0.54877 0.95589 1.00000 Cl44 Cl 0.37946 0.97134 0.16914 1.00000 Cl45 Cl 0.49510 0.83560 0.64718 1.00000 Cl46 Cl 0.00490 0.16440 0.14718 1.00000 Cl47 Cl 0.01300 0.27634 0.93586 1.00000 Cl48 Cl 0.72835 0.68437 0.73675 1.00000 Cl49 Cl 0.51300 0.22366 0.06414 1.00000 Cl50 Cl 0.98700 0.72366 0.06414 1.00000 Cl51 Cl 0.27165 0.31563 0.26325 1.00000 Cl52 Cl 0.90202 0.45123 0.45589 1.00000 Cl53 Cl 0.27165 0.18437 0.76325 1.00000 Cl54 Cl 0.72835 0.81563 0.23675 1.00000 Cl55 Cl 0.40202 0.45123 0.04411 1.00000 Cl56 Cl 0.62054 0.02866 0.83086 1.00000 O1 O 0.89151 0.91683 0.13559 1.00000 O2 O 0.60849 0.08317 0.63559 1.00000 O3 O 0.10849 0.08317 0.86441 1.00000 O4 O 0.89151 0.58317 0.63559 1.00000 O5 O 0.60849 0.41683 0.13559 1.00000 O6 O 0.39151 0.58317 0.86441 1.00000 O7 O 0.10849 0.41683 0.36441 1.00000 O8 O 0.39151 0.91683 0.36441 1.00000