# CIF generated by HEAS from Alexandria entry agm005235849 data_agm005235849 _cell_length_a 5.66994 _cell_length_b 11.93365 _cell_length_c 13.34660 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 903.07114 _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 0.81399 0.77253 0.23459 1.00000 Cu2 Cu 0.31399 0.22747 0.26541 1.00000 Cu3 Cu 0.18601 0.72747 0.73459 1.00000 Cu4 Cu 0.68601 0.27253 0.76541 1.00000 Cu5 Cu 0.18601 0.22747 0.76541 1.00000 Cu6 Cu 0.68601 0.77253 0.73459 1.00000 Cu7 Cu 0.81399 0.27253 0.26541 1.00000 Cu8 Cu 0.31399 0.72747 0.23459 1.00000 Cu9 Cu 0.81870 0.81953 0.91694 1.00000 Cu10 Cu 0.31870 0.18047 0.58306 1.00000 Cu11 Cu 0.18130 0.68047 0.41694 1.00000 Cu12 Cu 0.68130 0.31953 0.08306 1.00000 Cu13 Cu 0.18130 0.18047 0.08306 1.00000 Cu14 Cu 0.68130 0.81953 0.41694 1.00000 Cu15 Cu 0.81870 0.31953 0.58306 1.00000 Cu16 Cu 0.31870 0.68047 0.91694 1.00000 B1 B 0.53555 0.94687 0.07779 1.00000 B2 B 0.03555 0.05313 0.42221 1.00000 B3 B 0.46445 0.55313 0.57779 1.00000 B4 B 0.96445 0.44687 0.92221 1.00000 B5 B 0.46445 0.05313 0.92221 1.00000 B6 B 0.96445 0.94687 0.57779 1.00000 B7 B 0.53555 0.44687 0.42221 1.00000 B8 B 0.03555 0.55313 0.07779 1.00000 B9 B 0.81188 0.95010 0.01595 1.00000 B10 B 0.31188 0.04990 0.48405 1.00000 B11 B 0.18812 0.54990 0.51595 1.00000 B12 B 0.68812 0.45010 0.98405 1.00000 B13 B 0.18812 0.04990 0.98405 1.00000 B14 B 0.68812 0.95010 0.51595 1.00000 B15 B 0.81188 0.45010 0.48405 1.00000 B16 B 0.31188 0.54990 0.01595 1.00000 B17 B 0.48299 0.08981 0.12171 1.00000 B18 B 0.98299 0.91019 0.37829 1.00000 B19 B 0.51701 0.41019 0.62171 1.00000 B20 B 0.01701 0.58981 0.87829 1.00000 B21 B 0.51701 0.91019 0.87829 1.00000 B22 B 0.01701 0.08981 0.62171 1.00000 B23 B 0.48299 0.58981 0.37829 1.00000 B24 B 0.98299 0.41019 0.12171 1.00000 B25 B 0.57225 0.97706 0.20520 1.00000 B26 B 0.07225 0.02294 0.29480 1.00000 B27 B 0.42775 0.52294 0.70520 1.00000 B28 B 0.92775 0.47706 0.79480 1.00000 B29 B 0.42775 0.02294 0.79480 1.00000 B30 B 0.92775 0.97706 0.70520 1.00000 B31 B 0.57225 0.47706 0.29480 1.00000 B32 B 0.07225 0.52294 0.20520 1.00000 B33 B 0.82552 0.92140 0.14319 1.00000 B34 B 0.32552 0.07860 0.35681 1.00000 B35 B 0.17448 0.57860 0.64319 1.00000 B36 B 0.67448 0.42140 0.85681 1.00000 B37 B 0.17448 0.07860 0.85681 1.00000 B38 B 0.67448 0.92140 0.64319 1.00000 B39 B 0.82552 0.42140 0.35681 1.00000 B40 B 0.32552 0.57860 0.14319 1.00000 B41 B 0.75689 0.16205 0.12263 1.00000 B42 B 0.25689 0.83795 0.37737 1.00000 B43 B 0.24311 0.33795 0.62263 1.00000 B44 B 0.74311 0.66205 0.87737 1.00000 B45 B 0.24311 0.83795 0.87737 1.00000 B46 B 0.74311 0.16205 0.62263 1.00000 B47 B 0.75689 0.66205 0.37737 1.00000 B48 B 0.25689 0.33795 0.12263 1.00000 B49 B 0.59391 0.12238 0.23430 1.00000 B50 B 0.09391 0.87762 0.26570 1.00000 B51 B 0.40609 0.37762 0.73430 1.00000 B52 B 0.90609 0.62238 0.76570 1.00000 B53 B 0.40609 0.87762 0.76570 1.00000 B54 B 0.90609 0.12238 0.73430 1.00000 B55 B 0.59391 0.62238 0.26570 1.00000 B56 B 0.09391 0.37762 0.23430 1.00000 B57 B 0.86097 0.05570 0.21099 1.00000 B58 B 0.36097 0.94430 0.28901 1.00000 B59 B 0.13903 0.44430 0.71099 1.00000 B60 B 0.63903 0.55570 0.78901 1.00000 B61 B 0.13903 0.94430 0.78901 1.00000 B62 B 0.63903 0.05570 0.71099 1.00000 B63 B 0.86097 0.55570 0.28901 1.00000 B64 B 0.36097 0.44430 0.21099 1.00000 B65 B 0.94374 0.05544 0.07861 1.00000 B66 B 0.44374 0.94456 0.42139 1.00000 B67 B 0.05626 0.44456 0.57861 1.00000 B68 B 0.55626 0.55544 0.92139 1.00000 B69 B 0.05626 0.94456 0.92139 1.00000 B70 B 0.55626 0.05544 0.57861 1.00000 B71 B 0.94374 0.55544 0.42139 1.00000 B72 B 0.44374 0.44456 0.07861 1.00000 B73 B 0.66023 0.07822 0.01724 1.00000 B74 B 0.16023 0.92178 0.48276 1.00000 B75 B 0.33977 0.42178 0.51724 1.00000 B76 B 0.83977 0.57822 0.98276 1.00000 B77 B 0.33977 0.92178 0.98276 1.00000 B78 B 0.83977 0.07822 0.51724 1.00000 B79 B 0.66023 0.57822 0.48276 1.00000 B80 B 0.16023 0.42178 0.01724 1.00000