# CIF generated by HEAS from Alexandria entry agm005665995 data_agm005665995 _cell_length_a 3.06455 _cell_length_b 3.06455 _cell_length_c 7.84271 _cell_angle_alpha 78.73335 _cell_angle_beta 78.73334 _cell_angle_gamma 59.99999 _cell_volume 62.14227 _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 0.89045 0.89045 0.32864 1.00000 Ti2 Ti 0.10955 0.10955 0.67136 1.00000 H1 H 0.80936 0.80936 0.57192 1.00000 H2 H 0.19064 0.19064 0.42808 1.00000 O1 O 0.40383 0.40383 0.78850 1.00000 O2 O 0.59617 0.59617 0.21150 1.00000