# CIF generated by HEAS from Alexandria entry agm006190825 data_agm006190825 _cell_length_a 4.89581 _cell_length_b 4.89581 _cell_length_c 8.72220 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 181.05315 _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 Ti1 Ti 0.33333 0.66667 0.84742 1.00000 Ti2 Ti 0.66667 0.33333 0.15258 1.00000 I1 I 0.33333 0.66667 0.29646 1.00000 I2 I 0.00000 0.00000 0.00000 1.00000 I3 I 0.66667 0.33333 0.70354 1.00000 H1 H 0.77296 0.54592 0.32595 1.00000 H2 H 0.77296 0.22704 0.32595 1.00000 H3 H 0.50000 0.00000 0.00000 1.00000 H4 H 0.22704 0.77296 0.67405 1.00000 H5 H 0.54592 0.77296 0.67405 1.00000 H6 H 0.45408 0.22704 0.32595 1.00000 H7 H 0.22704 0.45408 0.67405 1.00000 H8 H 0.00000 0.50000 0.00000 1.00000 H9 H 0.50000 0.50000 0.00000 1.00000