# CIF generated by HEAS from Alexandria entry agm005234091 data_agm005234091 _cell_length_a 5.56165 _cell_length_b 12.68538 _cell_length_c 15.86376 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1119.21419 _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 Na1 Na 0.95587 0.53658 0.72728 1.00000 Na2 Na 0.54413 0.46342 0.22728 1.00000 Na3 Na 0.45587 0.96342 0.27272 1.00000 Na4 Na 0.04413 0.03658 0.77272 1.00000 Na5 Na 0.95581 0.78620 0.23103 1.00000 Na6 Na 0.54419 0.21380 0.73103 1.00000 Na7 Na 0.45581 0.71380 0.76897 1.00000 Na8 Na 0.04419 0.28620 0.26897 1.00000 Na9 Na 0.99962 0.78246 0.63450 1.00000 Na10 Na 0.50038 0.21754 0.13450 1.00000 Na11 Na 0.49962 0.71754 0.36550 1.00000 Na12 Na 0.00038 0.28246 0.86550 1.00000 H1 H 0.17521 0.99560 0.48719 1.00000 H2 H 0.32479 0.00440 0.98719 1.00000 H3 H 0.67521 0.50440 0.51281 1.00000 H4 H 0.82479 0.49560 0.01281 1.00000 H5 H 0.00183 0.05043 0.41120 1.00000 H6 H 0.49817 0.94957 0.91120 1.00000 H7 H 0.50183 0.44957 0.58880 1.00000 H8 H 0.99817 0.55043 0.08880 1.00000 H9 H 0.45370 0.25142 0.49813 1.00000 H10 H 0.04630 0.74858 0.99813 1.00000 H11 H 0.95370 0.24858 0.50187 1.00000 H12 H 0.54630 0.75142 0.00187 1.00000 H13 H 0.47337 0.35989 0.43807 1.00000 H14 H 0.02663 0.64011 0.93807 1.00000 H15 H 0.97337 0.14011 0.56193 1.00000 H16 H 0.52663 0.85989 0.06193 1.00000 H17 H 0.99423 0.13258 0.02938 1.00000 H18 H 0.50577 0.86742 0.52938 1.00000 H19 H 0.49423 0.36742 0.97062 1.00000 H20 H 0.00577 0.63258 0.47062 1.00000 H21 H 0.86741 0.01413 0.01957 1.00000 H22 H 0.63259 0.98587 0.51957 1.00000 H23 H 0.36741 0.48587 0.98043 1.00000 H24 H 0.13259 0.51413 0.48043 1.00000 S1 S 0.98418 0.87365 0.41449 1.00000 S2 S 0.51582 0.12635 0.91449 1.00000 S3 S 0.48418 0.62635 0.58551 1.00000 S4 S 0.01582 0.37365 0.08551 1.00000 S5 S 0.54395 0.21432 0.36115 1.00000 S6 S 0.95605 0.78568 0.86115 1.00000 S7 S 0.04395 0.28568 0.63885 1.00000 S8 S 0.45605 0.71432 0.13885 1.00000 S9 S 0.98229 0.04983 0.15233 1.00000 S10 S 0.51771 0.95017 0.65233 1.00000 S11 S 0.48229 0.45017 0.84767 1.00000 S12 S 0.01771 0.54983 0.34767 1.00000 N1 N 0.01003 0.99312 0.45687 1.00000 N2 N 0.48997 0.00688 0.95687 1.00000 N3 N 0.51003 0.50688 0.54313 1.00000 N4 N 0.98997 0.49312 0.04313 1.00000 N5 N 0.42058 0.28264 0.43961 1.00000 N6 N 0.07942 0.71736 0.93961 1.00000 N7 N 0.92058 0.21736 0.56039 1.00000 N8 N 0.57942 0.78264 0.06039 1.00000 N9 N 0.00698 0.05468 0.04733 1.00000 N10 N 0.49302 0.94532 0.54733 1.00000 N11 N 0.50698 0.44532 0.95267 1.00000 N12 N 0.99302 0.55468 0.45267 1.00000 O1 O 0.75886 0.87686 0.36556 1.00000 O2 O 0.74114 0.12314 0.86556 1.00000 O3 O 0.25886 0.62314 0.63444 1.00000 O4 O 0.24114 0.37686 0.13444 1.00000 O5 O 0.19146 0.85205 0.35821 1.00000 O6 O 0.30854 0.14795 0.85821 1.00000 O7 O 0.69146 0.64795 0.64179 1.00000 O8 O 0.80854 0.35205 0.14179 1.00000 O9 O 0.97761 0.80229 0.48673 1.00000 O10 O 0.52239 0.19771 0.98673 1.00000 O11 O 0.47761 0.69771 0.51327 1.00000 O12 O 0.02239 0.30229 0.01327 1.00000 O13 O 0.47959 0.27825 0.28634 1.00000 O14 O 0.02041 0.72175 0.78634 1.00000 O15 O 0.97959 0.22175 0.71366 1.00000 O16 O 0.52041 0.77825 0.21366 1.00000 O17 O 0.42538 0.11162 0.36452 1.00000 O18 O 0.07462 0.88838 0.86452 1.00000 O19 O 0.92538 0.38838 0.63548 1.00000 O20 O 0.57462 0.61162 0.13548 1.00000 O21 O 0.80665 0.20667 0.37231 1.00000 O22 O 0.69335 0.79333 0.87231 1.00000 O23 O 0.30665 0.29333 0.62769 1.00000 O24 O 0.19335 0.70667 0.12769 1.00000 O25 O 0.72609 0.05973 0.17599 1.00000 O26 O 0.77391 0.94027 0.67599 1.00000 O27 O 0.22609 0.44027 0.82401 1.00000 O28 O 0.27391 0.55973 0.32401 1.00000 O29 O 0.12898 0.13932 0.18091 1.00000 O30 O 0.37102 0.86068 0.68091 1.00000 O31 O 0.62898 0.36068 0.81909 1.00000 O32 O 0.87102 0.63932 0.31909 1.00000 O33 O 0.08435 0.94803 0.17767 1.00000 O34 O 0.41565 0.05197 0.67767 1.00000 O35 O 0.58435 0.55197 0.82233 1.00000 O36 O 0.91565 0.44803 0.32233 1.00000