# CIF generated by HEAS from Alexandria entry agm005754385 data_agm005754385 _cell_length_a 8.45866 _cell_length_b 8.45866 _cell_length_c 10.17364 _cell_angle_alpha 100.55098 _cell_angle_beta 100.55098 _cell_angle_gamma 29.06414 _cell_volume 347.22747 _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 0.27159 0.27159 0.86160 1.00000 Ti2 Ti 0.72841 0.72841 0.13840 1.00000 H1 H 0.35760 0.35760 0.54296 1.00000 H2 H 0.64240 0.64240 0.45704 1.00000 I1 I 0.30412 0.30412 0.31156 1.00000 I2 I 0.58973 0.58973 0.29606 1.00000 I3 I 0.41027 0.41027 0.70394 1.00000 I4 I 0.86638 0.86638 0.01231 1.00000 I5 I 0.69588 0.69588 0.68844 1.00000 I6 I 0.13362 0.13362 0.98769 1.00000