# CIF generated by HEAS from Alexandria entry agm005237249 data_agm005237249 _cell_length_a 7.45480 _cell_length_b 7.45480 _cell_length_c 39.60485 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 2200.99922 _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 Rb1 Rb 0.05054 0.05054 0.37500 1.00000 Rb2 Rb 0.94946 0.94946 0.87500 1.00000 Rb3 Rb 0.94946 0.05054 0.62500 1.00000 Rb4 Rb 0.05054 0.94946 0.12500 1.00000 Rb5 Rb 0.00705 0.44079 0.07442 1.00000 Rb6 Rb 0.99295 0.55921 0.57442 1.00000 Rb7 Rb 0.55921 0.00705 0.32442 1.00000 Rb8 Rb 0.99295 0.44079 0.92558 1.00000 Rb9 Rb 0.44079 0.99295 0.82442 1.00000 Rb10 Rb 0.00705 0.55921 0.42558 1.00000 Rb11 Rb 0.44079 0.00705 0.67558 1.00000 Rb12 Rb 0.55921 0.99295 0.17558 1.00000 Rb13 Rb 0.50000 0.38256 0.00000 1.00000 Rb14 Rb 0.50000 0.61744 0.50000 1.00000 Rb15 Rb 0.61744 0.50000 0.25000 1.00000 Rb16 Rb 0.38256 0.50000 0.75000 1.00000 Nb1 Nb 0.27031 0.50055 0.16133 1.00000 Nb2 Nb 0.72969 0.49945 0.66133 1.00000 Nb3 Nb 0.49945 0.27031 0.41133 1.00000 Nb4 Nb 0.72969 0.50055 0.83867 1.00000 Nb5 Nb 0.50055 0.72969 0.91133 1.00000 Nb6 Nb 0.27031 0.49945 0.33867 1.00000 Nb7 Nb 0.50055 0.27031 0.58867 1.00000 Nb8 Nb 0.49945 0.72969 0.08867 1.00000 Nb9 Nb 0.49842 0.23604 0.09320 1.00000 Nb10 Nb 0.50158 0.76396 0.59320 1.00000 Nb11 Nb 0.76396 0.49842 0.34320 1.00000 Nb12 Nb 0.50158 0.23604 0.90680 1.00000 Nb13 Nb 0.23604 0.50158 0.84320 1.00000 Nb14 Nb 0.49842 0.76396 0.40680 1.00000 Nb15 Nb 0.23604 0.49842 0.65680 1.00000 Nb16 Nb 0.76396 0.50158 0.15680 1.00000 Si1 Si 0.00123 0.21809 0.20895 1.00000 Si2 Si 0.99877 0.78191 0.70895 1.00000 Si3 Si 0.78191 0.00123 0.45895 1.00000 Si4 Si 0.99877 0.21809 0.79105 1.00000 Si5 Si 0.21809 0.99877 0.95895 1.00000 Si6 Si 0.00123 0.78191 0.29105 1.00000 Si7 Si 0.21809 0.00123 0.54105 1.00000 Si8 Si 0.78191 0.99877 0.04105 1.00000 Si9 Si 0.00171 0.21451 0.29103 1.00000 Si10 Si 0.99829 0.78549 0.79103 1.00000 Si11 Si 0.78549 0.00171 0.54103 1.00000 Si12 Si 0.99829 0.21451 0.70897 1.00000 Si13 Si 0.21451 0.99829 0.04103 1.00000 Si14 Si 0.00171 0.78549 0.20897 1.00000 Si15 Si 0.21451 0.00171 0.45897 1.00000 Si16 Si 0.78549 0.99829 0.95897 1.00000 O1 O 0.30062 0.18071 0.05696 1.00000 O2 O 0.69938 0.81929 0.55696 1.00000 O3 O 0.81929 0.30062 0.30696 1.00000 O4 O 0.69938 0.18071 0.94304 1.00000 O5 O 0.18071 0.69938 0.80696 1.00000 O6 O 0.30062 0.81929 0.44304 1.00000 O7 O 0.18071 0.30062 0.69304 1.00000 O8 O 0.81929 0.69938 0.19304 1.00000 O9 O 0.31697 0.31160 0.12613 1.00000 O10 O 0.68303 0.68840 0.62613 1.00000 O11 O 0.68840 0.31697 0.37613 1.00000 O12 O 0.68303 0.31160 0.87387 1.00000 O13 O 0.31160 0.68303 0.87613 1.00000 O14 O 0.31697 0.68840 0.37387 1.00000 O15 O 0.31160 0.31697 0.62387 1.00000 O16 O 0.68840 0.68303 0.12387 1.00000 O17 O 0.99865 0.00180 0.19956 1.00000 O18 O 0.00135 0.99820 0.69956 1.00000 O19 O 0.99820 0.99865 0.44956 1.00000 O20 O 0.00135 0.00180 0.80044 1.00000 O21 O 0.00180 0.00135 0.94956 1.00000 O22 O 0.99865 0.99820 0.30044 1.00000 O23 O 0.00180 0.99865 0.55044 1.00000 O24 O 0.99820 0.00135 0.05044 1.00000 O25 O 0.23901 0.00308 0.00010 1.00000 O26 O 0.76099 0.99692 0.50010 1.00000 O27 O 0.99692 0.23901 0.25010 1.00000 O28 O 0.76099 0.00308 0.99990 1.00000 O29 O 0.00308 0.76099 0.75010 1.00000 O30 O 0.23901 0.99692 0.49990 1.00000 O31 O 0.00308 0.23901 0.74990 1.00000 O32 O 0.99692 0.76099 0.24990 1.00000 O33 O 0.69431 0.18118 0.05651 1.00000 O34 O 0.30569 0.81882 0.55651 1.00000 O35 O 0.81882 0.69431 0.30651 1.00000 O36 O 0.30569 0.18118 0.94349 1.00000 O37 O 0.18118 0.30569 0.80651 1.00000 O38 O 0.69431 0.81882 0.44349 1.00000 O39 O 0.18118 0.69431 0.69349 1.00000 O40 O 0.81882 0.30569 0.19349 1.00000 O41 O 0.68988 0.68988 0.37500 1.00000 O42 O 0.31012 0.31012 0.87500 1.00000 O43 O 0.31012 0.68988 0.62500 1.00000 O44 O 0.68988 0.31012 0.12500 1.00000 O45 O 0.49759 0.49232 0.07183 1.00000 O46 O 0.50241 0.50768 0.57183 1.00000 O47 O 0.50768 0.49759 0.32183 1.00000 O48 O 0.50241 0.49232 0.92817 1.00000 O49 O 0.49232 0.50241 0.82183 1.00000 O50 O 0.49759 0.50768 0.42817 1.00000 O51 O 0.49232 0.49759 0.67817 1.00000 O52 O 0.50768 0.50241 0.17817 1.00000 O53 O 0.32198 0.32198 0.37500 1.00000 O54 O 0.67802 0.67802 0.87500 1.00000 O55 O 0.67802 0.32198 0.62500 1.00000 O56 O 0.32198 0.67802 0.12500 1.00000 O57 O 0.40638 0.08310 0.24963 1.00000 O58 O 0.59362 0.91690 0.74963 1.00000 O59 O 0.91690 0.40638 0.49963 1.00000 O60 O 0.59362 0.08310 0.75037 1.00000 O61 O 0.08310 0.59362 0.99963 1.00000 O62 O 0.40638 0.91690 0.25037 1.00000 O63 O 0.08310 0.40638 0.50037 1.00000 O64 O 0.91690 0.59362 0.00037 1.00000 O65 O 0.18392 0.30533 0.19364 1.00000 O66 O 0.81608 0.69467 0.69364 1.00000 O67 O 0.69467 0.18392 0.44364 1.00000 O68 O 0.81608 0.30533 0.80636 1.00000 O69 O 0.30533 0.81608 0.94364 1.00000 O70 O 0.18392 0.69467 0.30636 1.00000 O71 O 0.30533 0.18392 0.55636 1.00000 O72 O 0.69467 0.81608 0.05636 1.00000 O73 O 0.00605 0.50517 0.14339 1.00000 O74 O 0.99395 0.49483 0.64339 1.00000 O75 O 0.49483 0.00605 0.39339 1.00000 O76 O 0.99395 0.50517 0.85661 1.00000 O77 O 0.50517 0.99395 0.89339 1.00000 O78 O 0.00605 0.49483 0.35661 1.00000 O79 O 0.50517 0.00605 0.60661 1.00000 O80 O 0.49483 0.99395 0.10661 1.00000 O81 O 0.18419 0.29815 0.30727 1.00000 O82 O 0.81581 0.70185 0.80727 1.00000 O83 O 0.70185 0.18419 0.55727 1.00000 O84 O 0.81581 0.29815 0.69273 1.00000 O85 O 0.29815 0.81581 0.05727 1.00000 O86 O 0.18419 0.70185 0.19273 1.00000 O87 O 0.29815 0.18419 0.44273 1.00000 O88 O 0.70185 0.81581 0.94273 1.00000