# CIF generated by HEAS from Alexandria entry agm005670149 data_agm005670149 _cell_length_a 4.88392 _cell_length_b 12.73850 _cell_length_c 12.73850 _cell_angle_alpha 120.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 686.33354 _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 0.00000 0.33333 0.66667 1.00000 Ba2 Ba 0.00000 0.03559 0.78339 1.00000 Ba3 Ba 0.00000 0.74780 0.96441 1.00000 Ba4 Ba 0.00000 0.21661 0.25220 1.00000 Ba5 Ba 0.50000 0.62048 0.54900 1.00000 Ba6 Ba 0.50000 0.92852 0.37952 1.00000 Ba7 Ba 0.50000 0.45100 0.07148 1.00000 I1 I 0.50000 0.00000 0.00000 1.00000 I2 I 0.00000 0.66667 0.33333 1.00000 Cl1 Cl 0.50000 0.89423 0.61623 1.00000 Cl2 Cl 0.50000 0.72201 0.10577 1.00000 Cl3 Cl 0.50000 0.38377 0.27799 1.00000 Cl4 Cl 0.50000 0.23845 0.78996 1.00000 Cl5 Cl 0.50000 0.55151 0.76155 1.00000 Cl6 Cl 0.50000 0.21004 0.44849 1.00000 Cl7 Cl 0.00000 0.05603 0.54973 1.00000 Cl8 Cl 0.00000 0.49369 0.94397 1.00000 Cl9 Cl 0.00000 0.45027 0.50631 1.00000 Cl10 Cl 0.00000 0.76459 0.72820 1.00000 Cl11 Cl 0.00000 0.96362 0.23541 1.00000 Cl12 Cl 0.00000 0.27180 0.03638 1.00000