# CIF generated by HEAS from Alexandria entry agm080405832 data_agm080405832 _cell_length_a 3.09431 _cell_length_b 3.66214 _cell_length_c 4.58330 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 51.93712 _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 Sc1 Sc 0.00000 0.49781 0.50000 1.00000 Ti1 Ti 0.50000 0.99799 0.00000 1.00000 H1 H 0.00000 0.28424 0.00000 1.00000 H2 H 0.00000 0.71167 0.00000 1.00000 H3 H 0.50000 0.49775 0.22680 1.00000 H4 H 0.50000 0.49775 0.77320 1.00000 H5 H 0.00000 0.99782 0.71150 1.00000 H6 H 0.00000 0.99782 0.28850 1.00000