# CIF generated by HEAS from Alexandria entry agm005880296 data_agm005880296 _cell_length_a 5.77555 _cell_length_b 5.77555 _cell_length_c 7.91520 _cell_angle_alpha 75.80815 _cell_angle_beta 75.80815 _cell_angle_gamma 64.66731 _cell_volume 228.37146 _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 Zr1 Zr 0.34078 0.65922 0.25000 1.00000 Zr2 Zr 0.65922 0.34078 0.75000 1.00000 Zr3 Zr 0.00744 0.22657 0.04231 1.00000 Zr4 Zr 0.77343 0.99256 0.45769 1.00000 Zr5 Zr 0.99256 0.77343 0.95769 1.00000 Zr6 Zr 0.22657 0.00744 0.54231 1.00000 Ti1 Ti 0.87044 0.49673 0.35916 1.00000 Ti2 Ti 0.50327 0.12956 0.14084 1.00000 Ti3 Ti 0.49673 0.87044 0.85916 1.00000 Ti4 Ti 0.12956 0.50327 0.64084 1.00000 O1 O 0.68322 0.31678 0.25000 1.00000 O2 O 0.31678 0.68322 0.75000 1.00000