# CIF generated by HEAS from Alexandria entry agm005994586 data_agm005994586 _cell_length_a 4.87565 _cell_length_b 5.74612 _cell_length_c 6.29782 _cell_angle_alpha 123.25635 _cell_angle_beta 90.01686 _cell_angle_gamma 91.05869 _cell_volume 147.50691 _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 0.26657 0.72391 0.36170 1.00000 Ti2 Ti 0.73343 0.27609 0.63828 1.00000 Ti3 Ti 0.79128 0.77504 0.12113 1.00000 Ti4 Ti 0.20895 0.22538 0.34623 1.00000 Ti5 Ti 0.30005 0.71263 0.85654 1.00000 Ti6 Ti 0.20872 0.22496 0.87885 1.00000 Ti7 Ti 0.79106 0.77461 0.65375 1.00000 Ti8 Ti 0.69994 0.28740 0.14346 1.00000 H1 H 0.35227 0.32315 0.66161 1.00000 H2 H 0.64773 0.67684 0.33837 1.00000 O1 O 0.00001 0.99999 0.99999 1.00000