# CIF generated by HEAS from Alexandria entry agm005100263 data_agm005100263 _cell_length_a 8.22468 _cell_length_b 8.22443 _cell_length_c 7.36705 _cell_angle_alpha 89.97503 _cell_angle_beta 90.02444 _cell_angle_gamma 59.95565 _cell_volume 431.37492 _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 0.66648 0.66651 0.49984 1.00000 Hg1 Hg 0.00011 0.00014 0.99978 1.00000 Bi1 Bi 0.33329 0.33332 0.49999 1.00000 I1 I 0.03401 0.31847 0.25009 1.00000 I2 I 0.31870 0.03390 0.75000 1.00000 I3 I 0.64756 0.31845 0.75007 1.00000 I4 I 0.03364 0.64774 0.74957 1.00000 I5 I 0.31816 0.64771 0.25003 1.00000 I6 I 0.64781 0.03381 0.25052 1.00000