# CIF generated by HEAS from Alexandria entry agm005229072 data_agm005229072 _cell_length_a 12.87770 _cell_length_b 6.17382 _cell_length_c 9.47091 _cell_angle_alpha 72.85077 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 719.50323 _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 Cu1 Cu 0.50000 0.00000 0.50000 1.00000 Cu2 Cu 0.00000 0.00000 0.00000 1.00000 H1 H 0.14942 0.76849 0.54070 1.00000 H2 H 0.64942 0.23151 0.95930 1.00000 H3 H 0.85058 0.23151 0.45930 1.00000 H4 H 0.35058 0.76849 0.04070 1.00000 H5 H 0.18829 0.57390 0.70234 1.00000 H6 H 0.68829 0.42610 0.79766 1.00000 H7 H 0.81171 0.42610 0.29766 1.00000 H8 H 0.31171 0.57390 0.20234 1.00000 H9 H 0.11842 0.48850 0.57771 1.00000 H10 H 0.61842 0.51150 0.92229 1.00000 H11 H 0.88158 0.51150 0.42229 1.00000 H12 H 0.38158 0.48850 0.07771 1.00000 H13 H 0.06202 0.64682 0.67444 1.00000 H14 H 0.56202 0.35318 0.82556 1.00000 H15 H 0.93798 0.35318 0.32556 1.00000 H16 H 0.43798 0.64682 0.17444 1.00000 H17 H 0.40863 0.66919 0.69326 1.00000 H18 H 0.90863 0.33081 0.80674 1.00000 H19 H 0.59137 0.33081 0.30674 1.00000 H20 H 0.09137 0.66919 0.19326 1.00000 H21 H 0.37816 0.90009 0.73095 1.00000 H22 H 0.87816 0.09991 0.76905 1.00000 H23 H 0.62184 0.09991 0.26905 1.00000 H24 H 0.12184 0.90009 0.23095 1.00000 H25 H 0.39037 0.05098 0.20931 1.00000 H26 H 0.89037 0.94902 0.29069 1.00000 H27 H 0.60963 0.94902 0.79069 1.00000 H28 H 0.10963 0.05098 0.70931 1.00000 H29 H 0.31052 0.96777 0.33810 1.00000 H30 H 0.81052 0.03223 0.16190 1.00000 H31 H 0.68948 0.03223 0.66190 1.00000 H32 H 0.18948 0.96777 0.83810 1.00000 H33 H 0.56727 0.67870 0.40953 1.00000 H34 H 0.06727 0.32130 0.09047 1.00000 H35 H 0.43273 0.32130 0.59047 1.00000 H36 H 0.93273 0.67870 0.90953 1.00000 H37 H 0.63998 0.69410 0.54419 1.00000 H38 H 0.13998 0.30590 0.95581 1.00000 H39 H 0.36002 0.30590 0.45581 1.00000 H40 H 0.86002 0.69410 0.04419 1.00000 S1 S 0.35282 0.25094 0.88193 1.00000 S2 S 0.85282 0.74906 0.61807 1.00000 S3 S 0.64718 0.74906 0.11807 1.00000 S4 S 0.14718 0.25094 0.38193 1.00000 N1 N 0.13036 0.62133 0.62324 1.00000 N2 N 0.63036 0.37867 0.87676 1.00000 N3 N 0.86964 0.37867 0.37676 1.00000 N4 N 0.36964 0.62133 0.12324 1.00000 O1 O 0.25461 0.38232 0.86938 1.00000 O2 O 0.75461 0.61768 0.63062 1.00000 O3 O 0.74539 0.61768 0.13062 1.00000 O4 O 0.24539 0.38232 0.36938 1.00000 O5 O 0.40549 0.23676 0.02401 1.00000 O6 O 0.90549 0.76324 0.47599 1.00000 O7 O 0.59451 0.76324 0.97599 1.00000 O8 O 0.09451 0.23676 0.52401 1.00000 O9 O 0.42369 0.37381 0.75728 1.00000 O10 O 0.92369 0.62619 0.74272 1.00000 O11 O 0.57631 0.62619 0.24272 1.00000 O12 O 0.07631 0.37381 0.25728 1.00000 O13 O 0.33127 0.01768 0.87111 1.00000 O14 O 0.83127 0.98232 0.62889 1.00000 O15 O 0.66873 0.98232 0.12889 1.00000 O16 O 0.16873 0.01768 0.37111 1.00000 O17 O 0.39307 0.83358 0.64950 1.00000 O18 O 0.89307 0.16642 0.85050 1.00000 O19 O 0.60693 0.16642 0.35050 1.00000 O20 O 0.10693 0.83358 0.14950 1.00000 O21 O 0.38294 0.94850 0.31074 1.00000 O22 O 0.88294 0.05150 0.18926 1.00000 O23 O 0.61706 0.05150 0.68926 1.00000 O24 O 0.11706 0.94850 0.81074 1.00000 O25 O 0.56674 0.70888 0.50748 1.00000 O26 O 0.06674 0.29112 0.99252 1.00000 O27 O 0.43326 0.29112 0.49252 1.00000 O28 O 0.93326 0.70888 0.00748 1.00000