# CIF generated by HEAS from Alexandria entry agm005447018 data_agm005447018 _cell_length_a 4.92620 _cell_length_b 4.92620 _cell_length_c 4.92620 _cell_angle_alpha 97.70739 _cell_angle_beta 97.70739 _cell_angle_gamma 137.03515 _cell_volume 75.81667 _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 0.15704 0.65704 0.81407 1.00000 Ti2 Ti 0.84296 0.34296 0.18593 1.00000 Ti3 Ti 0.34296 0.15704 0.50000 1.00000 Ti4 Ti 0.65704 0.84296 0.50000 1.00000 B1 B 0.50000 0.50000 0.00000 1.00000 B2 B 0.00000 0.00000 0.00000 1.00000