# CIF generated by HEAS from Alexandria entry agm005259693 data_agm005259693 _cell_length_a 9.57431 _cell_length_b 9.57431 _cell_length_c 28.02050 _cell_angle_alpha 99.83694 _cell_angle_beta 99.83694 _cell_angle_gamma 90.00000 _cell_volume 2492.46997 _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 Sm1 Sm 0.09396 0.09396 0.18792 1.00000 Sm2 Sm 0.34396 0.84396 0.68792 1.00000 Sm3 Sm 0.15604 0.65604 0.31208 1.00000 Sm4 Sm 0.90604 0.90604 0.81208 1.00000 Nb1 Nb 0.35232 0.30113 0.43420 1.00000 Nb2 Nb 0.08189 0.13308 0.43420 1.00000 Nb3 Nb 0.38308 0.10232 0.93420 1.00000 Nb4 Nb 0.89768 0.61692 0.06580 1.00000 Nb5 Nb 0.55113 0.83189 0.93420 1.00000 Nb6 Nb 0.16811 0.44887 0.06580 1.00000 Nb7 Nb 0.86692 0.91811 0.56580 1.00000 Nb8 Nb 0.69887 0.64768 0.56580 1.00000 Nb9 Nb 0.17772 0.74289 0.12291 1.00000 Nb10 Nb 0.94519 0.38002 0.12291 1.00000 Nb11 Nb 0.63002 0.92772 0.62291 1.00000 Nb12 Nb 0.07228 0.36998 0.37709 1.00000 Nb13 Nb 0.99289 0.69519 0.62291 1.00000 Nb14 Nb 0.30481 0.00711 0.37709 1.00000 Nb15 Nb 0.61998 0.05481 0.87709 1.00000 Nb16 Nb 0.25711 0.82228 0.87709 1.00000 Nb17 Nb 0.28045 0.25236 0.32294 1.00000 Nb18 Nb 0.04249 0.07058 0.32294 1.00000 Nb19 Nb 0.32058 0.03045 0.82294 1.00000 Nb20 Nb 0.96955 0.67942 0.17706 1.00000 Nb21 Nb 0.50236 0.79249 0.82294 1.00000 Nb22 Nb 0.20751 0.49764 0.17706 1.00000 Nb23 Nb 0.92942 0.95751 0.67706 1.00000 Nb24 Nb 0.74764 0.71955 0.67706 1.00000 Cl1 Cl 0.36328 0.37500 0.25000 1.00000 Cl2 Cl 0.88672 0.87500 0.25000 1.00000 Cl3 Cl 0.12500 0.11328 0.75000 1.00000 Cl4 Cl 0.62500 0.63672 0.75000 1.00000 Cl5 Cl 0.48917 0.38476 0.37721 1.00000 Cl6 Cl 0.88803 0.99245 0.37721 1.00000 Cl7 Cl 0.24245 0.23917 0.87721 1.00000 Cl8 Cl 0.76083 0.75755 0.12279 1.00000 Cl9 Cl 0.63476 0.63803 0.87721 1.00000 Cl10 Cl 0.36197 0.36524 0.12279 1.00000 Cl11 Cl 0.00755 0.11197 0.62279 1.00000 Cl12 Cl 0.61524 0.51083 0.62279 1.00000 Cl13 Cl 0.38112 0.70170 0.18715 1.00000 Cl14 Cl 0.80602 0.48545 0.18715 1.00000 Cl15 Cl 0.73545 0.13112 0.68715 1.00000 Cl16 Cl 0.86888 0.26455 0.31285 1.00000 Cl17 Cl 0.95170 0.55602 0.68715 1.00000 Cl18 Cl 0.44398 0.04830 0.31285 1.00000 Cl19 Cl 0.51455 0.19398 0.81285 1.00000 Cl20 Cl 0.29830 0.61888 0.81285 1.00000 Cl21 Cl 0.04121 0.22105 0.05758 1.00000 Cl22 Cl 0.01637 0.83653 0.05758 1.00000 Cl23 Cl 0.08653 0.79121 0.55758 1.00000 Cl24 Cl 0.20879 0.91347 0.44242 1.00000 Cl25 Cl 0.47105 0.76637 0.55758 1.00000 Cl26 Cl 0.23363 0.52895 0.44242 1.00000 Cl27 Cl 0.16347 0.98363 0.94242 1.00000 Cl28 Cl 0.77895 0.95879 0.94242 1.00000 Cl29 Cl 0.32360 0.64826 0.06029 1.00000 Cl30 Cl 0.73669 0.41203 0.06029 1.00000 Cl31 Cl 0.66203 0.07360 0.56029 1.00000 Cl32 Cl 0.92640 0.33797 0.43971 1.00000 Cl33 Cl 0.89826 0.48669 0.56029 1.00000 Cl34 Cl 0.51331 0.10174 0.43971 1.00000 Cl35 Cl 0.58797 0.26331 0.93971 1.00000 Cl36 Cl 0.35174 0.67640 0.93971 1.00000 Cl37 Cl 0.31308 0.31308 1.00000 1.00000 Cl38 Cl 0.68692 0.68692 0.00000 1.00000 Cl39 Cl 0.93692 0.06308 0.50000 1.00000 Cl40 Cl 0.56308 0.43692 0.50000 1.00000 Cl41 Cl 0.25261 0.25261 0.50522 1.00000 Cl42 Cl 0.50261 0.00261 0.00522 1.00000 Cl43 Cl 0.99739 0.49739 0.99478 1.00000 Cl44 Cl 0.74739 0.74739 0.49478 1.00000 Cl45 Cl 0.41508 0.75154 0.36332 1.00000 Cl46 Cl 0.94824 0.61177 0.36332 1.00000 Cl47 Cl 0.86177 0.16508 0.86332 1.00000 Cl48 Cl 0.83492 0.13823 0.13668 1.00000 Cl49 Cl 0.00154 0.69824 0.86332 1.00000 Cl50 Cl 0.30176 0.99846 0.13668 1.00000 Cl51 Cl 0.38823 0.05176 0.63668 1.00000 Cl52 Cl 0.24846 0.58492 0.63668 1.00000 O1 O 0.09535 0.32081 0.17381 1.00000 O2 O 0.07846 0.85300 0.17381 1.00000 O3 O 0.10300 0.84535 0.67381 1.00000 O4 O 0.15465 0.89700 0.32619 1.00000 O5 O 0.57081 0.82846 0.67381 1.00000 O6 O 0.17154 0.42919 0.32619 1.00000 O7 O 0.14700 0.92154 0.82619 1.00000 O8 O 0.67919 0.90465 0.82619 1.00000 O9 O 0.13489 0.13489 0.26979 1.00000 O10 O 0.38489 0.88489 0.76979 1.00000 O11 O 0.11511 0.61511 0.23021 1.00000 O12 O 0.86511 0.86511 0.73021 1.00000