# CIF generated by HEAS from Alexandria entry agm006232255 data_agm006232255 _cell_length_a 12.85283 _cell_length_b 12.85283 _cell_length_c 9.76937 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 129.25809 _cell_volume 1249.61160 _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 Ba1 Ba 0.50000 0.50000 0.79411 1.00000 Ba2 Ba 0.83396 0.83396 0.00000 1.00000 Ba3 Ba 0.16604 0.16604 0.00000 1.00000 Ba4 Ba 0.50000 0.50000 0.20589 1.00000 Nd1 Nd 0.87917 0.12083 0.29492 1.00000 Nd2 Nd 0.00000 0.50000 0.26538 1.00000 Nd3 Nd 0.50000 0.00000 0.26538 1.00000 Nd4 Nd 0.66412 0.33588 0.00000 1.00000 Nd5 Nd 0.18123 0.38682 0.50000 1.00000 Nd6 Nd 0.87917 0.12083 0.70508 1.00000 Nd7 Nd 0.38682 0.18123 0.50000 1.00000 Nd8 Nd 0.12083 0.87917 0.70508 1.00000 Nd9 Nd 0.61318 0.81877 0.50000 1.00000 Nd10 Nd 0.12083 0.87917 0.29492 1.00000 Nd11 Nd 0.33588 0.66412 0.00000 1.00000 Nd12 Nd 0.50000 0.00000 0.73462 1.00000 Nd13 Nd 0.81877 0.61318 0.50000 1.00000 Nd14 Nd 0.00000 0.50000 0.73462 1.00000 Si1 Si 0.67387 0.32613 0.33887 1.00000 Si2 Si 0.61589 0.84664 0.83886 1.00000 Si3 Si 0.67387 0.32613 0.66113 1.00000 Si4 Si 0.15297 0.15297 0.32927 1.00000 Si5 Si 0.78545 0.21455 0.50000 1.00000 Si6 Si 0.07020 0.66694 0.00000 1.00000 Si7 Si 0.21455 0.78545 0.50000 1.00000 Si8 Si 0.61589 0.84664 0.16114 1.00000 Si9 Si 0.32613 0.67387 0.33887 1.00000 Si10 Si 0.66694 0.07020 0.00000 1.00000 Si11 Si 0.92980 0.33306 0.00000 1.00000 Si12 Si 0.84703 0.84703 0.67073 1.00000 Si13 Si 0.84664 0.61589 0.83886 1.00000 Si14 Si 0.32613 0.67387 0.66113 1.00000 Si15 Si 0.84703 0.84703 0.32927 1.00000 Si16 Si 0.38411 0.15336 0.16114 1.00000 Si17 Si 0.33306 0.92980 0.00000 1.00000 Si18 Si 0.15297 0.15297 0.67073 1.00000 Si19 Si 0.84664 0.61589 0.16114 1.00000 Si20 Si 0.15336 0.38411 0.16114 1.00000 Si21 Si 0.15336 0.38411 0.83886 1.00000 Si22 Si 0.38411 0.15336 0.83886 1.00000 N1 N 0.76091 0.23909 0.00000 1.00000 N2 N 0.36184 0.63816 0.50000 1.00000 N3 N 0.23516 0.41558 0.00000 1.00000 N4 N 0.83617 0.71619 0.73474 1.00000 N5 N 0.58442 0.76484 0.00000 1.00000 N6 N 0.22135 0.52938 0.75375 1.00000 N7 N 0.52938 0.22135 0.24625 1.00000 N8 N 0.77865 0.47062 0.24625 1.00000 N9 N 0.69289 0.01452 0.14572 1.00000 N10 N 0.71619 0.83617 0.26526 1.00000 N11 N 0.98548 0.30711 0.85428 1.00000 N12 N 0.00000 0.50000 0.00000 1.00000 N13 N 0.77865 0.47062 0.75375 1.00000 N14 N 0.30711 0.98548 0.14572 1.00000 N15 N 0.47062 0.77865 0.75375 1.00000 N16 N 0.70943 0.04057 0.50000 1.00000 N17 N 0.16383 0.28381 0.73474 1.00000 N18 N 0.01452 0.69289 0.14572 1.00000 N19 N 0.28381 0.16383 0.26526 1.00000 N20 N 0.25263 0.74737 0.64931 1.00000 N21 N 0.01452 0.69289 0.85428 1.00000 N22 N 0.83617 0.71619 0.26526 1.00000 N23 N 0.69289 0.01452 0.85428 1.00000 N24 N 0.16383 0.28381 0.26526 1.00000 N25 N 0.52938 0.22135 0.75375 1.00000 N26 N 0.63816 0.36184 0.50000 1.00000 N27 N 0.47062 0.77865 0.24625 1.00000 N28 N 0.81318 0.81318 0.50000 1.00000 N29 N 0.18682 0.18682 0.50000 1.00000 N30 N 0.30711 0.98548 0.85428 1.00000 N31 N 0.29057 0.95943 0.50000 1.00000 N32 N 0.28381 0.16383 0.73474 1.00000 N33 N 0.22135 0.52938 0.24625 1.00000 N34 N 0.74737 0.25263 0.35069 1.00000 N35 N 0.23909 0.76091 0.00000 1.00000 N36 N 0.74737 0.25263 0.64931 1.00000 N37 N 0.98548 0.30711 0.14572 1.00000 N38 N 0.00000 0.00000 0.27926 1.00000 N39 N 0.95943 0.29057 0.50000 1.00000 N40 N 0.50000 0.00000 0.00000 1.00000 N41 N 0.04057 0.70943 0.50000 1.00000 N42 N 0.00000 0.00000 0.72074 1.00000 N43 N 0.71619 0.83617 0.73474 1.00000 N44 N 0.25263 0.74737 0.35069 1.00000 N45 N 0.41558 0.23516 0.00000 1.00000 N46 N 0.76484 0.58442 0.00000 1.00000