# CIF generated by HEAS from Alexandria entry agm099472136 data_agm099472136 _cell_length_a 2.99715 _cell_length_b 6.14338 _cell_length_c 6.33057 _cell_angle_alpha 89.77811 _cell_angle_beta 90.01271 _cell_angle_gamma 89.99903 _cell_volume 116.56157 _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 0.00040 0.98133 0.93049 1.00000 Ti2 Ti 0.99969 0.04139 0.51063 1.00000 Ti3 Ti 0.99923 0.43298 0.00073 1.00000 Ti4 Ti 0.00056 0.48598 0.54895 1.00000 H1 H 0.49973 0.00839 0.32379 1.00000 H2 H 0.50017 0.99382 0.72638 1.00000 H3 H 0.49950 0.46539 0.20517 1.00000 H4 H 0.50000 0.49101 0.77415 1.00000 H5 H 0.50033 0.76712 0.97235 1.00000 H6 H 0.50037 0.69258 0.50878 1.00000 H7 H 0.49988 0.20517 0.00572 1.00000 H8 H 0.50017 0.26756 0.51383 1.00000 H9 H 0.99990 0.88407 0.22456 1.00000 H10 H 0.00009 0.77859 0.70670 1.00000 H11 H 0.99998 0.27563 0.30248 1.00000 H12 H 0.00004 0.24140 0.75143 1.00000 Ru1 Ru 0.49995 0.73758 0.24385 1.00000