# CIF generated by HEAS from Alexandria entry agm004581908 data_agm004581908 _cell_length_a 6.54893 _cell_length_b 6.54893 _cell_length_c 6.09300 _cell_angle_alpha 93.96506 _cell_angle_beta 93.96506 _cell_angle_gamma 122.44180 _cell_volume 218.25049 _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 0.34085 0.65915 0.50000 1.00000 Ba2 Ba 0.65915 0.34085 0.50000 1.00000 Hg1 Hg 0.86913 0.13087 0.00000 1.00000 Hg2 Hg 0.13087 0.86913 0.00000 1.00000 Ir1 Ir 0.00000 0.00000 0.50000 1.00000 O1 O 0.76528 0.76528 0.69696 1.00000 O2 O 0.01318 0.26861 0.69273 1.00000 O3 O 0.23472 0.23472 0.30304 1.00000 O4 O 0.26861 0.01318 0.69273 1.00000 O5 O 0.98682 0.73139 0.30727 1.00000 O6 O 0.73139 0.98682 0.30727 1.00000