# CIF generated by HEAS from Alexandria entry agm079284342 data_agm079284342 _cell_length_a 11.41481 _cell_length_b 11.41481 _cell_length_c 11.41481 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 1144.94510 _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 0.50000 0.50000 0.00000 1.00000 Ti2 Ti 0.00000 0.50000 0.50000 1.00000 Ti3 Ti 0.50000 0.00000 0.50000 1.00000 I1 I 0.27612 1.00000 0.49996 1.00000 I2 I 0.49996 1.00000 0.27612 1.00000 I3 I 0.72388 0.22385 0.72388 1.00000 I4 I 0.50004 0.77615 0.50004 1.00000 I5 I 0.49996 0.27612 1.00000 1.00000 I6 I 0.27612 0.49996 1.00000 1.00000 I7 I 0.72388 0.72388 0.22385 1.00000 I8 I 0.50004 0.50004 0.77615 1.00000 I9 I 1.00000 0.49996 0.27612 1.00000 I10 I 1.00000 0.27612 0.49996 1.00000 I11 I 0.22385 0.72388 0.72388 1.00000 I12 I 0.77615 0.50004 0.50004 1.00000