# CIF generated by HEAS from Alexandria entry agm002016757 data_agm002016757 _cell_length_a 3.92104 _cell_length_b 6.98406 _cell_length_c 8.32909 _cell_angle_alpha 101.72912 _cell_angle_beta 93.31651 _cell_angle_gamma 102.82365 _cell_volume 216.48681 _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 0.32283 0.50676 0.07769 1.00000 Ba2 Ba 0.37429 0.61979 0.64208 1.00000 Sc1 Sc 0.06818 0.95405 0.39091 1.00000 Sc2 Sc 0.71733 0.15002 0.69150 1.00000 I1 I 0.98273 0.92320 0.98621 1.00000 I2 I 0.71196 0.28620 0.35763 1.00000