# CIF generated by HEAS from Alexandria entry agm080596413 data_agm080596413 _cell_length_a 7.37590 _cell_length_b 7.87067 _cell_length_c 7.96218 _cell_angle_alpha 106.69259 _cell_angle_beta 115.46617 _cell_angle_gamma 107.75969 _cell_volume 347.20536 _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 H1 H 0.40340 0.54066 0.74037 1.00000 H2 H 0.81992 0.18540 0.09581 1.00000 H3 H 0.53935 0.09186 0.82401 1.00000 H4 H 0.26184 0.52379 0.45932 1.00000 H5 H 0.64432 0.72470 0.43099 1.00000 H6 H 0.22554 0.97929 0.93195 1.00000 H7 H 0.14797 0.74970 0.68183 1.00000 H8 H 0.44379 0.43405 0.22738 1.00000 H9 H 0.66734 0.29936 0.47640 1.00000 H10 H 0.87586 0.73562 0.88822 1.00000 H11 H 0.81928 0.54483 0.99708 1.00000 H12 H 0.36222 0.21116 0.42849 1.00000 S1 S 0.76956 0.17609 0.90784 1.00000 S2 S 0.18608 0.43449 0.55683 1.00000 S3 S 0.11967 0.91694 0.72065 1.00000 S4 S 0.42917 0.60543 0.24811 1.00000 S5 S 0.81981 0.72433 0.02721 1.00000 S6 S 0.46489 0.12229 0.35749 1.00000