# CIF generated by HEAS from Alexandria entry agm005285513 data_agm005285513 _cell_length_a 10.54438 _cell_length_b 11.25283 _cell_length_c 11.66272 _cell_angle_alpha 90.06355 _cell_angle_beta 90.13900 _cell_angle_gamma 90.06782 _cell_volume 1383.82473 _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 Nd1 Nd 0.00674 0.99985 0.83053 1.00000 Nd2 Nd 0.89532 0.36654 0.00034 1.00000 Nd3 Nd 0.86067 0.11188 0.50290 1.00000 Nd4 Nd 0.86122 0.60271 0.76057 1.00000 Nd5 Nd 0.86212 0.60328 0.24192 1.00000 Nd6 Nd 0.64104 0.09781 0.23909 1.00000 Nd7 Nd 0.63514 0.10254 0.76208 1.00000 Nd8 Nd 0.63910 0.61570 0.49739 1.00000 Nd9 Nd 0.62542 0.87026 0.00412 1.00000 Nd10 Nd 0.50137 0.49855 0.17321 1.00000 Nd11 Nd 0.49668 0.49712 0.82651 1.00000 Nd12 Nd 0.35443 0.13022 0.99594 1.00000 Nd13 Nd 0.37514 0.38207 0.50304 1.00000 Nd14 Nd 0.35909 0.89611 0.23397 1.00000 Nd15 Nd 0.35412 0.90044 0.76506 1.00000 Nd16 Nd 0.14200 0.39969 0.76877 1.00000 Nd17 Nd 0.14330 0.40070 0.23000 1.00000 Nd18 Nd 0.12485 0.88092 0.49721 1.00000 Nd19 Nd 0.12914 0.62745 0.99964 1.00000 Nd20 Nd 0.00898 0.00065 0.16934 1.00000 Si1 Si 0.88603 0.25413 0.24587 1.00000 Si2 Si 0.88313 0.25402 0.75489 1.00000 Si3 Si 0.85023 0.85613 0.36464 1.00000 Si4 Si 0.84727 0.85516 0.63800 1.00000 Si5 Si 0.78629 0.10999 0.00029 1.00000 Si6 Si 0.71210 0.60726 0.99961 1.00000 Si7 Si 0.65043 0.35475 0.63546 1.00000 Si8 Si 0.65417 0.35291 0.36410 1.00000 Si9 Si 0.61609 0.76061 0.24346 1.00000 Si10 Si 0.61351 0.75532 0.75640 1.00000 Si11 Si 0.38558 0.24438 0.24529 1.00000 Si12 Si 0.38282 0.23875 0.75455 1.00000 Si13 Si 0.34884 0.64763 0.63466 1.00000 Si14 Si 0.35265 0.64600 0.36586 1.00000 Si15 Si 0.28227 0.39113 0.00005 1.00000 Si16 Si 0.21262 0.89284 0.99969 1.00000 Si17 Si 0.15133 0.14857 0.36479 1.00000 Si18 Si 0.14832 0.14771 0.63279 1.00000 Si19 Si 0.11721 0.73874 0.24463 1.00000 Si20 Si 0.11471 0.73848 0.75488 1.00000 Br1 Br 0.94520 0.53591 0.50114 1.00000 Br2 Br 0.54579 0.03545 0.49961 1.00000 N1 N 0.98005 0.81101 0.28590 1.00000 N2 N 0.97356 0.80794 0.72010 1.00000 N3 N 0.89763 0.88658 0.50209 1.00000 N4 N 0.83015 0.18223 0.12234 1.00000 N5 N 0.82993 0.18365 0.87945 1.00000 N6 N 0.76907 0.25042 0.65013 1.00000 N7 N 0.77508 0.25015 0.35305 1.00000 N8 N 0.72579 0.75184 0.64973 1.00000 N9 N 0.73078 0.75170 0.35038 1.00000 N10 N 0.67500 0.68067 0.12252 1.00000 N11 N 0.67162 0.68371 0.87884 1.00000 N12 N 0.60357 0.38779 0.49891 1.00000 N13 N 0.58203 0.90015 0.19684 1.00000 N14 N 0.52854 0.30411 0.28141 1.00000 N15 N 0.52127 0.30822 0.71341 1.00000 N16 N 0.47662 0.68952 0.27863 1.00000 N17 N 0.46987 0.69352 0.72562 1.00000 N18 N 0.41445 0.09983 0.80370 1.00000 N19 N 0.40927 0.62024 0.50124 1.00000 N20 N 0.33620 0.32183 0.12267 1.00000 N21 N 0.33352 0.32411 0.87598 1.00000 N22 N 0.26851 0.25101 0.64712 1.00000 N23 N 0.27369 0.25037 0.35254 1.00000 N24 N 0.22745 0.75049 0.64535 1.00000 N25 N 0.23308 0.75025 0.35182 1.00000 N26 N 0.17352 0.81808 0.12320 1.00000 N27 N 0.17275 0.81908 0.87544 1.00000 N28 N 0.15040 0.03391 0.99999 1.00000 N29 N 0.11967 0.40567 0.00139 1.00000 N30 N 0.09057 0.12185 0.49789 1.00000 N31 N 0.08142 0.59938 0.19870 1.00000 N32 N 0.08181 0.59856 0.80088 1.00000 N33 N 0.03125 0.19511 0.27403 1.00000 N34 N 0.02511 0.19230 0.72090 1.00000 O1 O 0.91316 0.39383 0.20269 1.00000 O2 O 0.91271 0.39333 0.79767 1.00000 O3 O 0.86858 0.57935 0.99650 1.00000 O4 O 0.84622 0.97153 0.99989 1.00000 O5 O 0.81489 0.99113 0.68957 1.00000 O6 O 0.82100 0.99366 0.31499 1.00000 O7 O 0.68262 0.48850 0.30961 1.00000 O8 O 0.67920 0.49034 0.69022 1.00000 O9 O 0.64287 0.47341 0.99881 1.00000 O10 O 0.62942 0.08662 0.99950 1.00000 O11 O 0.58280 0.89433 0.79987 1.00000 O12 O 0.41373 0.10610 0.19879 1.00000 O13 O 0.37523 0.90770 0.00001 1.00000 O14 O 0.34769 0.52922 0.00108 1.00000 O15 O 0.31713 0.50834 0.68025 1.00000 O16 O 0.32026 0.50679 0.32000 1.00000 O17 O 0.18656 0.01060 0.31829 1.00000 O18 O 0.18025 0.00832 0.67781 1.00000