# CIF generated by HEAS from Alexandria entry agm005248679 data_agm005248679 _cell_length_a 12.61301 _cell_length_b 6.22404 _cell_length_c 9.03395 _cell_angle_alpha 72.76595 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 677.35916 _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 0.00000 0.00000 0.00000 1.00000 Fe2 Fe 0.50000 0.00000 0.50000 1.00000 H1 H 0.93576 0.67436 0.88772 1.00000 H2 H 0.14424 0.32056 0.97408 1.00000 H3 H 0.60332 0.96602 0.76368 1.00000 H4 H 0.38031 0.89563 0.75870 1.00000 H5 H 0.69108 0.02564 0.62859 1.00000 H6 H 0.91859 0.34062 0.77138 1.00000 H7 H 0.41859 0.65938 0.72862 1.00000 H8 H 0.19108 0.97436 0.87141 1.00000 H9 H 0.88031 0.10437 0.74130 1.00000 H10 H 0.10332 0.03398 0.73632 1.00000 H11 H 0.64424 0.67944 0.52592 1.00000 H12 H 0.43576 0.32564 0.61228 1.00000 H13 H 0.56424 0.67436 0.38772 1.00000 H14 H 0.35576 0.32056 0.47408 1.00000 H15 H 0.89668 0.96602 0.26368 1.00000 H16 H 0.11969 0.89563 0.25870 1.00000 H17 H 0.80892 0.02564 0.12859 1.00000 H18 H 0.58141 0.34062 0.27138 1.00000 H19 H 0.08141 0.65938 0.22862 1.00000 H20 H 0.30892 0.97436 0.37141 1.00000 H21 H 0.61969 0.10437 0.24130 1.00000 H22 H 0.39668 0.03398 0.23632 1.00000 H23 H 0.85576 0.67944 0.02592 1.00000 H24 H 0.06424 0.32564 0.11228 1.00000 S1 S 0.35996 0.24263 0.90707 1.00000 S2 S 0.85996 0.75737 0.59293 1.00000 S3 S 0.14004 0.24263 0.40707 1.00000 S4 S 0.64004 0.75737 0.09293 1.00000 O1 O 0.93045 0.71340 0.98797 1.00000 O2 O 0.57913 0.82031 0.94596 1.00000 O3 O 0.11393 0.95996 0.84997 1.00000 O4 O 0.26914 0.38438 0.92741 1.00000 O5 O 0.32104 0.03864 0.86928 1.00000 O6 O 0.90943 0.17445 0.81902 1.00000 O7 O 0.92889 0.62149 0.72088 1.00000 O8 O 0.42889 0.37851 0.77912 1.00000 O9 O 0.40943 0.82555 0.68098 1.00000 O10 O 0.82104 0.96136 0.63072 1.00000 O11 O 0.76914 0.61562 0.57259 1.00000 O12 O 0.61393 0.04004 0.65003 1.00000 O13 O 0.56955 0.71340 0.48797 1.00000 O14 O 0.92087 0.82031 0.44596 1.00000 O15 O 0.07913 0.17969 0.55404 1.00000 O16 O 0.43045 0.28660 0.51203 1.00000 O17 O 0.38607 0.95996 0.34997 1.00000 O18 O 0.23086 0.38438 0.42741 1.00000 O19 O 0.17896 0.03864 0.36928 1.00000 O20 O 0.59057 0.17445 0.31902 1.00000 O21 O 0.57111 0.62149 0.22088 1.00000 O22 O 0.07111 0.37851 0.27912 1.00000 O23 O 0.09057 0.82555 0.18098 1.00000 O24 O 0.67896 0.96136 0.13072 1.00000 O25 O 0.73086 0.61562 0.07259 1.00000 O26 O 0.88607 0.04004 0.15003 1.00000 O27 O 0.42087 0.17969 0.05404 1.00000 O28 O 0.06955 0.28660 0.01203 1.00000