# CIF generated by HEAS from Alexandria entry agm006709402 data_agm006709402 _cell_length_a 5.83885 _cell_length_b 11.31591 _cell_length_c 14.74138 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 973.99198 _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 Y1 Y 0.37604 0.25000 0.66398 1.00000 Y2 Y 0.12396 0.25000 0.16398 1.00000 Y3 Y 0.62396 0.75000 0.33602 1.00000 Y4 Y 0.87604 0.75000 0.83602 1.00000 H1 H 0.04693 0.31860 0.81525 1.00000 H2 H 0.45307 0.18140 0.31525 1.00000 H3 H 0.95307 0.81860 0.18475 1.00000 H4 H 0.54693 0.68140 0.68475 1.00000 H5 H 0.95307 0.68140 0.18475 1.00000 H6 H 0.54693 0.81860 0.68475 1.00000 H7 H 0.04693 0.18140 0.81525 1.00000 H8 H 0.45307 0.31860 0.31525 1.00000 H9 H 0.63107 0.37233 0.50825 1.00000 H10 H 0.86893 0.12767 0.00825 1.00000 H11 H 0.36893 0.87233 0.49175 1.00000 H12 H 0.13107 0.62767 0.99175 1.00000 H13 H 0.36893 0.62767 0.49175 1.00000 H14 H 0.13107 0.87233 0.99175 1.00000 H15 H 0.63107 0.12767 0.50825 1.00000 H16 H 0.86893 0.37233 0.00825 1.00000 H17 H 0.69569 0.44369 0.59600 1.00000 H18 H 0.80431 0.05631 0.09600 1.00000 H19 H 0.30431 0.94369 0.40400 1.00000 H20 H 0.19569 0.55631 0.90400 1.00000 H21 H 0.30431 0.55631 0.40400 1.00000 H22 H 0.19569 0.94369 0.90400 1.00000 H23 H 0.69569 0.05631 0.59600 1.00000 H24 H 0.80431 0.44369 0.09600 1.00000 H25 H 0.14347 0.31983 0.48800 1.00000 H26 H 0.35653 0.18017 0.98800 1.00000 H27 H 0.85653 0.81983 0.51200 1.00000 H28 H 0.64347 0.68017 0.01200 1.00000 H29 H 0.85653 0.68017 0.51200 1.00000 H30 H 0.64347 0.81983 0.01200 1.00000 H31 H 0.14347 0.18017 0.48800 1.00000 H32 H 0.35653 0.31983 0.98800 1.00000 S1 S 0.61560 0.44133 0.84861 1.00000 S2 S 0.88440 0.05867 0.34861 1.00000 S3 S 0.38440 0.94133 0.15139 1.00000 S4 S 0.11560 0.55867 0.65139 1.00000 S5 S 0.38440 0.55867 0.15139 1.00000 S6 S 0.11560 0.94133 0.65139 1.00000 S7 S 0.61560 0.05867 0.84861 1.00000 S8 S 0.88440 0.44133 0.34861 1.00000 O1 O 0.65954 0.56841 0.83066 1.00000 O2 O 0.84046 0.93159 0.33066 1.00000 O3 O 0.34046 0.06841 0.16934 1.00000 O4 O 0.15954 0.43159 0.66934 1.00000 O5 O 0.34046 0.43159 0.16934 1.00000 O6 O 0.15954 0.06841 0.66934 1.00000 O7 O 0.65954 0.93159 0.83066 1.00000 O8 O 0.84046 0.56841 0.33066 1.00000 O9 O 0.58067 0.38047 0.75988 1.00000 O10 O 0.91933 0.11953 0.25988 1.00000 O11 O 0.41933 0.88047 0.24012 1.00000 O12 O 0.08067 0.61953 0.74012 1.00000 O13 O 0.41933 0.61953 0.24012 1.00000 O14 O 0.08067 0.88047 0.74012 1.00000 O15 O 0.58067 0.11953 0.75988 1.00000 O16 O 0.91933 0.38047 0.25988 1.00000 O17 O 0.40935 0.43119 0.90633 1.00000 O18 O 0.09065 0.06881 0.40633 1.00000 O19 O 0.59065 0.93119 0.09367 1.00000 O20 O 0.90935 0.56881 0.59367 1.00000 O21 O 0.59065 0.56881 0.09367 1.00000 O22 O 0.90935 0.93119 0.59367 1.00000 O23 O 0.40935 0.06881 0.90633 1.00000 O24 O 0.09065 0.43119 0.40633 1.00000 O25 O 0.81971 0.38655 0.89176 1.00000 O26 O 0.68029 0.11345 0.39176 1.00000 O27 O 0.18029 0.88655 0.10824 1.00000 O28 O 0.31971 0.61345 0.60824 1.00000 O29 O 0.18029 0.61345 0.10824 1.00000 O30 O 0.31971 0.88655 0.60824 1.00000 O31 O 0.81971 0.11345 0.89176 1.00000 O32 O 0.68029 0.38655 0.39176 1.00000 O33 O 0.12601 0.25000 0.78891 1.00000 O34 O 0.37399 0.25000 0.28891 1.00000 O35 O 0.87399 0.75000 0.21109 1.00000 O36 O 0.62601 0.75000 0.71109 1.00000 O37 O 0.60339 0.37655 0.57441 1.00000 O38 O 0.89661 0.12345 0.07441 1.00000 O39 O 0.39661 0.87655 0.42559 1.00000 O40 O 0.10339 0.62345 0.92559 1.00000 O41 O 0.39661 0.62345 0.42559 1.00000 O42 O 0.10339 0.87655 0.92559 1.00000 O43 O 0.60339 0.12345 0.57441 1.00000 O44 O 0.89661 0.37655 0.07441 1.00000 O45 O 0.17844 0.25000 0.52616 1.00000 O46 O 0.32156 0.25000 0.02616 1.00000 O47 O 0.82156 0.75000 0.47384 1.00000 O48 O 0.67844 0.75000 0.97384 1.00000