# CIF generated by HEAS from Alexandria entry agm006011997 data_agm006011997 _cell_length_a 11.18043 _cell_length_b 13.05428 _cell_length_c 12.02944 _cell_angle_alpha 69.10984 _cell_angle_beta 62.30848 _cell_angle_gamma 64.64479 _cell_volume 1377.36264 _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 Ba1 Ba 0.00188 0.49105 0.95831 1.00000 Ba2 Ba 0.54877 0.99105 0.45831 1.00000 Hg1 Hg 0.74260 0.53119 0.68371 1.00000 Hg2 Hg 0.04250 0.03119 0.18371 1.00000 Hg3 Hg 0.07237 0.93245 0.72522 1.00000 Hg4 Hg 0.26995 0.43245 0.22522 1.00000 Hg5 Hg 0.58326 0.25998 0.74189 1.00000 Hg6 Hg 0.41487 0.75998 0.24189 1.00000 I1 I 0.50164 0.24603 0.20974 1.00000 I2 I 0.04258 0.74603 0.70974 1.00000 I3 I 0.36364 0.43220 0.88267 1.00000 I4 I 0.32149 0.93220 0.38267 1.00000 I5 I 0.19240 0.08136 0.70128 1.00000 I6 I 0.02496 0.58136 0.20128 1.00000 I7 I 0.71200 0.71315 0.09519 1.00000 I8 I 0.47966 0.21315 0.59519 1.00000 I9 I 0.90797 0.88489 0.41785 1.00000 I10 I 0.78929 0.38489 0.91785 1.00000 I11 I 0.55855 0.75037 0.71487 1.00000 I12 I 0.97621 0.25037 0.21487 1.00000 I13 I 0.33794 0.55712 0.37383 1.00000 I14 I 0.73110 0.05712 0.87383 1.00000 I15 I 0.77263 0.39207 0.53742 1.00000 I16 I 0.29789 0.89207 0.03742 1.00000 I17 I 0.82274 0.98564 0.13585 1.00000 I18 I 0.05578 0.48564 0.63585 1.00000