# CIF generated by HEAS from Alexandria entry agm080941753 data_agm080941753 _cell_length_a 3.44370 _cell_length_b 5.77449 _cell_length_c 4.11136 _cell_angle_alpha 55.03365 _cell_angle_beta 52.07364 _cell_angle_gamma 58.95803 _cell_volume 51.13231 _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 0.28543 0.41900 0.49415 1.00000 B1 B 0.02886 0.94721 0.25001 1.00000 H1 H 0.05884 0.80826 0.08936 1.00000 H2 H 0.36151 0.08263 0.99255 1.00000 H3 H 0.14357 0.78006 0.56015 1.00000 H4 H 0.61076 0.50765 0.88638 1.00000 H5 H 0.56985 0.06488 0.40526 1.00000 H6 H 0.94117 0.39032 0.32215 1.00000