# CIF generated by HEAS from Alexandria entry agm044697792 data_agm044697792 _cell_length_a 5.19589 _cell_length_b 5.19589 _cell_length_c 17.92896 _cell_angle_alpha 80.80980 _cell_angle_beta 99.19020 _cell_angle_gamma 119.99611 _cell_volume 412.01047 _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 0.43290 0.56710 0.78827 1.00000 Ba2 Ba 0.56710 0.43290 0.21173 1.00000 Hg1 Hg 0.00000 0.00000 0.50000 1.00000 I1 I 0.13673 0.86327 0.88972 1.00000 I2 I 0.27125 0.72875 0.31304 1.00000 I3 I 0.72875 0.27125 0.68696 1.00000 I4 I 0.86327 0.13673 0.11028 1.00000