# CIF generated by HEAS from Alexandria entry agm005257965 data_agm005257965 _cell_length_a 6.27670 _cell_length_b 6.27670 _cell_length_c 25.06272 _cell_angle_alpha 80.85212 _cell_angle_beta 80.85212 _cell_angle_gamma 70.58774 _cell_volume 913.42450 _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 V1 V 0.06316 0.93684 0.75000 1.00000 V2 V 0.93684 0.06316 0.25000 1.00000 V3 V 0.00000 0.00000 0.00000 1.00000 V4 V 0.00000 0.00000 0.50000 1.00000 H1 H 0.34100 0.99596 0.65500 1.00000 H2 H 0.65900 0.00404 0.34500 1.00000 H3 H 0.00404 0.65900 0.84500 1.00000 H4 H 0.99596 0.34100 0.15500 1.00000 H5 H 0.45513 0.70154 0.80009 1.00000 H6 H 0.54487 0.29846 0.19991 1.00000 H7 H 0.29846 0.54487 0.69991 1.00000 H8 H 0.70154 0.45513 0.30009 1.00000 H9 H 0.70583 0.35927 0.94110 1.00000 H10 H 0.29417 0.64073 0.05890 1.00000 H11 H 0.64073 0.29417 0.55890 1.00000 H12 H 0.35927 0.70583 0.44110 1.00000 H13 H 0.32695 0.92408 0.90889 1.00000 H14 H 0.67305 0.07592 0.09111 1.00000 H15 H 0.07592 0.67305 0.59111 1.00000 H16 H 0.92408 0.32695 0.40889 1.00000 H17 H 0.68713 0.75593 0.00594 1.00000 H18 H 0.31287 0.24407 0.99406 1.00000 H19 H 0.24407 0.31287 0.49406 1.00000 H20 H 0.75593 0.68713 0.50594 1.00000 H21 H 0.78540 0.88454 0.84709 1.00000 H22 H 0.21460 0.11546 0.15291 1.00000 H23 H 0.11546 0.21460 0.65291 1.00000 H24 H 0.88454 0.78540 0.34709 1.00000 H25 H 0.35099 0.96330 0.41970 1.00000 H26 H 0.64901 0.03670 0.58030 1.00000 H27 H 0.03670 0.64901 0.08030 1.00000 H28 H 0.96330 0.35099 0.91970 1.00000 H29 H 0.30896 0.72066 0.56914 1.00000 H30 H 0.69104 0.27934 0.43086 1.00000 H31 H 0.27934 0.69104 0.93086 1.00000 H32 H 0.72066 0.30896 0.06914 1.00000 H33 H 0.66132 0.92470 0.95022 1.00000 H34 H 0.33868 0.07530 0.04978 1.00000 H35 H 0.07530 0.33868 0.54978 1.00000 H36 H 0.92470 0.66132 0.45022 1.00000 H37 H 0.67623 0.17709 0.69885 1.00000 H38 H 0.32377 0.82291 0.30115 1.00000 H39 H 0.82291 0.32377 0.80115 1.00000 H40 H 0.17709 0.67623 0.19885 1.00000 H41 H 0.50821 0.91268 0.76208 1.00000 H42 H 0.49179 0.08732 0.23792 1.00000 H43 H 0.08732 0.49179 0.73792 1.00000 H44 H 0.91268 0.50821 0.26208 1.00000 H45 H 0.74212 0.92138 0.68802 1.00000 H46 H 0.25788 0.07862 0.31198 1.00000 H47 H 0.07862 0.25788 0.81198 1.00000 H48 H 0.92138 0.74212 0.18802 1.00000 S1 S 0.42710 0.31160 0.87674 1.00000 S2 S 0.57290 0.68840 0.12326 1.00000 S3 S 0.68840 0.57290 0.62326 1.00000 S4 S 0.31160 0.42710 0.37674 1.00000 O1 O 0.20996 0.85850 0.92871 1.00000 O2 O 0.79004 0.14150 0.07129 1.00000 O3 O 0.14150 0.79004 0.57129 1.00000 O4 O 0.85850 0.20996 0.42871 1.00000 O5 O 0.55434 0.41809 0.83129 1.00000 O6 O 0.44566 0.58191 0.16871 1.00000 O7 O 0.58191 0.44566 0.66871 1.00000 O8 O 0.41809 0.55434 0.33129 1.00000 O9 O 0.21214 0.09337 0.67708 1.00000 O10 O 0.78786 0.90663 0.32292 1.00000 O11 O 0.90663 0.78786 0.82292 1.00000 O12 O 0.09337 0.21214 0.17708 1.00000 O13 O 0.63458 0.81323 0.63483 1.00000 O14 O 0.36542 0.18677 0.36517 1.00000 O15 O 0.18677 0.36542 0.86517 1.00000 O16 O 0.81323 0.63458 0.13483 1.00000 O17 O 0.53839 0.05925 0.88403 1.00000 O18 O 0.46161 0.94075 0.11597 1.00000 O19 O 0.94075 0.46161 0.61597 1.00000 O20 O 0.05925 0.53839 0.38403 1.00000 O21 O 0.32271 0.86000 0.45209 1.00000 O22 O 0.67729 0.14000 0.54791 1.00000 O23 O 0.14000 0.67729 0.04791 1.00000 O24 O 0.86000 0.32271 0.95209 1.00000 O25 O 0.38522 0.85588 0.78185 1.00000 O26 O 0.61478 0.14412 0.21815 1.00000 O27 O 0.14412 0.61478 0.71815 1.00000 O28 O 0.85588 0.38522 0.28185 1.00000 O29 O 0.75526 0.85727 0.98020 1.00000 O30 O 0.24474 0.14273 0.01980 1.00000 O31 O 0.14273 0.24474 0.51980 1.00000 O32 O 0.85727 0.75526 0.48020 1.00000 O33 O 0.73505 0.01735 0.71644 1.00000 O34 O 0.26495 0.98265 0.28356 1.00000 O35 O 0.98265 0.26495 0.78356 1.00000 O36 O 0.01735 0.73505 0.21644 1.00000 O37 O 0.42488 0.40198 0.92897 1.00000 O38 O 0.57512 0.59802 0.07103 1.00000 O39 O 0.59802 0.57512 0.57103 1.00000 O40 O 0.40198 0.42488 0.42897 1.00000