# CIF generated by HEAS from Alexandria entry agm005282276 data_agm005282276 _cell_length_a 6.18876 _cell_length_b 7.57486 _cell_length_c 14.75996 _cell_angle_alpha 90.00385 _cell_angle_beta 56.35108 _cell_angle_gamma 90.00179 _cell_volume 575.99759 _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 Fe1 Fe 0.72706 0.51572 0.19981 1.00000 Fe2 Fe 0.16555 0.41932 0.01315 1.00000 Fe3 Fe 0.48355 0.25001 0.33217 1.00000 Fe4 Fe 0.17180 0.08427 0.49965 1.00000 Fe5 Fe 0.76675 0.53227 0.69550 1.00000 Fe6 Fe 0.52566 0.25001 0.82968 1.00000 Fe7 Fe 0.47434 0.74999 0.17032 1.00000 Fe8 Fe 0.06523 0.74999 0.57359 1.00000 Fe9 Fe 0.27295 0.01570 0.80020 1.00000 Fe10 Fe 0.51645 0.74999 0.66783 1.00000 Fe11 Fe 0.27294 0.48428 0.80019 1.00000 Fe12 Fe 0.93477 0.25001 0.42641 1.00000 Fe13 Fe 0.02035 0.25000 0.67884 1.00000 Fe14 Fe 0.76676 0.96774 0.69549 1.00000 Fe15 Fe 0.23325 0.46773 0.30450 1.00000 Fe16 Fe 0.97965 0.75000 0.32116 1.00000 Fe17 Fe 0.82820 0.91573 0.50035 1.00000 Fe18 Fe 0.23324 0.03226 0.30451 1.00000 Fe19 Fe 0.82824 0.58429 0.50034 1.00000 Fe20 Fe 0.83445 0.58068 0.98685 1.00000 Fe21 Fe 0.16555 0.08068 0.01315 1.00000 Fe22 Fe 0.00922 0.75000 0.80124 1.00000 Fe23 Fe 0.31572 0.75000 0.87903 1.00000 Fe24 Fe 0.99078 0.25000 0.19876 1.00000 Fe25 Fe 0.72705 0.98430 0.19980 1.00000 Fe26 Fe 0.83445 0.91932 0.98685 1.00000 Fe27 Fe 0.17176 0.41571 0.49966 1.00000 Fe28 Fe 0.68428 0.25000 0.12097 1.00000 Se1 Se 0.00692 0.75000 0.07944 1.00000 Se2 Se 0.30181 0.75000 0.37142 1.00000 Se3 Se 0.61447 0.52930 0.88197 1.00000 Se4 Se 0.73767 0.47468 0.36510 1.00000 Se5 Se 0.38553 0.47070 0.11803 1.00000 Se6 Se 0.69819 0.25000 0.62858 1.00000 Se7 Se 0.26233 0.52532 0.63490 1.00000 Se8 Se 0.73767 0.02533 0.36509 1.00000 Se9 Se 0.61448 0.97071 0.88196 1.00000 Se10 Se 0.38552 0.02929 0.11804 1.00000 Se11 Se 0.99308 0.25000 0.92056 1.00000 Se12 Se 0.26233 0.97467 0.63491 1.00000