# CIF generated by HEAS from Alexandria entry agm006232452 data_agm006232452 _cell_length_a 12.46162 _cell_length_b 12.46162 _cell_length_c 15.22684 _cell_angle_alpha 61.33554 _cell_angle_beta 61.33554 _cell_angle_gamma 32.03597 _cell_volume 1086.94637 _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 Zr1 Zr 0.97558 0.01541 0.51169 1.00000 Zr2 Zr 0.01541 0.97558 0.01169 1.00000 Zr3 Zr 0.13788 0.16329 0.27236 1.00000 Zr4 Zr 0.16329 0.13788 0.77236 1.00000 Zr5 Zr 0.33252 0.23265 0.33485 1.00000 Zr6 Zr 0.23265 0.33252 0.83485 1.00000 Zr7 Zr 0.45999 0.41695 0.09418 1.00000 Zr8 Zr 0.41695 0.45999 0.59418 1.00000 H1 H 0.56276 0.71142 0.84951 1.00000 H2 H 0.71142 0.56276 0.34951 1.00000 H3 H 0.65197 0.59922 0.94368 1.00000 H4 H 0.59922 0.65197 0.44368 1.00000 H5 H 0.73916 0.56498 0.90145 1.00000 H6 H 0.56498 0.73916 0.40145 1.00000 H7 H 0.83018 0.76153 0.70992 1.00000 H8 H 0.76153 0.83018 0.20992 1.00000 H9 H 0.52941 0.50056 0.22658 1.00000 H10 H 0.50056 0.52941 0.72658 1.00000 H11 H 0.46045 0.65544 0.27391 1.00000 H12 H 0.65544 0.46045 0.77391 1.00000 H13 H 0.47640 0.49079 0.35629 1.00000 H14 H 0.49079 0.47640 0.85629 1.00000 H15 H 0.68713 0.40387 0.28696 1.00000 H16 H 0.40387 0.68713 0.78696 1.00000 H17 H 0.03244 0.71647 0.33529 1.00000 H18 H 0.71647 0.03244 0.83529 1.00000 H19 H 0.79385 0.94425 0.31726 1.00000 H20 H 0.94425 0.79385 0.81726 1.00000 H21 H 0.90575 0.91231 0.37875 1.00000 H22 H 0.91231 0.90575 0.87875 1.00000 H23 H 0.97501 0.90863 0.25146 1.00000 H24 H 0.90863 0.97501 0.75146 1.00000 H25 H 0.77058 0.91770 0.59801 1.00000 H26 H 0.91770 0.77058 0.09801 1.00000 H27 H 0.76727 0.77285 0.62308 1.00000 H28 H 0.77285 0.76727 0.12308 1.00000 H29 H 0.09950 0.55742 0.53114 1.00000 H30 H 0.55742 0.09950 0.03114 1.00000 H31 H 0.97017 0.58717 0.18767 1.00000 H32 H 0.58717 0.97017 0.68767 1.00000 H33 H 0.88727 0.61034 0.50099 1.00000 H34 H 0.61034 0.88727 0.00099 1.00000 H35 H 0.82980 0.55364 0.61346 1.00000 H36 H 0.55364 0.82980 0.11346 1.00000 H37 H 0.14509 0.01446 0.65978 1.00000 H38 H 0.01446 0.14509 0.15978 1.00000 H39 H 0.28142 0.02261 0.58812 1.00000 H40 H 0.02261 0.28142 0.08812 1.00000 H41 H 0.40815 0.15456 0.51920 1.00000 H42 H 0.15456 0.40815 0.01920 1.00000 H43 H 0.42679 0.28141 0.44773 1.00000 H44 H 0.28141 0.42679 0.94773 1.00000 N1 N 0.83911 0.40311 0.55180 1.00000 N2 N 0.40311 0.83911 0.05180 1.00000 N3 N 0.53615 0.51374 0.28613 1.00000 N4 N 0.51374 0.53615 0.78613 1.00000 N5 N 0.92785 0.87129 0.32072 1.00000 N6 N 0.87129 0.92785 0.82072 1.00000 N7 N 0.73862 0.85528 0.65529 1.00000 N8 N 0.85528 0.73862 0.15529 1.00000 O1 O 0.78987 0.66704 0.56375 1.00000 O2 O 0.66704 0.78987 0.06375 1.00000 O3 O 0.23952 0.99493 0.66066 1.00000 O4 O 0.99493 0.23952 0.16066 1.00000 O5 O 0.45665 0.17826 0.44853 1.00000 O6 O 0.17826 0.45665 0.94853 1.00000 F1 F 0.33825 0.69384 0.98062 1.00000 F2 F 0.69384 0.33825 0.48062 1.00000 F3 F 0.48957 0.78162 0.79523 1.00000 F4 F 0.78162 0.48957 0.29523 1.00000 F5 F 0.08981 0.00005 0.84438 1.00000 F6 F 0.00005 0.08981 0.34438 1.00000 F7 F 0.55382 0.46860 0.12394 1.00000 F8 F 0.46860 0.55382 0.62394 1.00000 F9 F 0.14103 0.70054 0.13243 1.00000 F10 F 0.70054 0.14103 0.63243 1.00000 F11 F 0.42099 0.41513 0.97765 1.00000 F12 F 0.41513 0.42099 0.47765 1.00000 F13 F 0.06565 0.37045 0.31577 1.00000 F14 F 0.37045 0.06565 0.81577 1.00000 F15 F 0.10483 0.09659 0.93470 1.00000 F16 F 0.09659 0.10483 0.43470 1.00000 F17 F 0.31499 0.14102 0.64009 1.00000 F18 F 0.14102 0.31499 0.14009 1.00000 F19 F 0.37126 0.88375 0.23446 1.00000 F20 F 0.88375 0.37126 0.73446 1.00000 F21 F 0.08481 0.51202 0.38113 1.00000 F22 F 0.51202 0.08481 0.88113 1.00000 F23 F 0.74267 0.09462 0.12272 1.00000 F24 F 0.09462 0.74267 0.62272 1.00000 F25 F 0.73504 0.28885 0.96867 1.00000 F26 F 0.28885 0.73504 0.46867 1.00000 F27 F 0.42558 0.35670 0.25921 1.00000 F28 F 0.35670 0.42558 0.75921 1.00000 F29 F 0.64195 0.96667 0.30575 1.00000 F30 F 0.96667 0.64195 0.80575 1.00000 F31 F 0.40047 0.02373 0.28585 1.00000 F32 F 0.02373 0.40047 0.78585 1.00000 F33 F 0.33945 0.32581 0.17115 1.00000 F34 F 0.32581 0.33945 0.67115 1.00000 F35 F 0.02319 0.00598 0.12886 1.00000 F36 F 0.00598 0.02319 0.62886 1.00000 F37 F 0.96630 0.88023 0.97757 1.00000 F38 F 0.88023 0.96630 0.47757 1.00000 F39 F 0.31086 0.09622 0.46791 1.00000 F40 F 0.09622 0.31086 0.96791 1.00000