# CIF generated by HEAS from Alexandria entry agm006190861 data_agm006190861 _cell_length_a 4.84805 _cell_length_b 4.84805 _cell_length_c 6.10819 _cell_angle_alpha 89.99995 _cell_angle_beta 89.99998 _cell_angle_gamma 120.00001 _cell_volume 124.33052 _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 0.33333 0.66667 0.82317 1.00000 Ti2 Ti 0.66667 0.33333 0.17683 1.00000 Zr1 Zr 0.33333 0.66667 0.35320 1.00000 Zr2 Zr 0.00000 0.00000 0.00000 1.00000 Zr3 Zr 0.66667 0.33333 0.64680 1.00000 H1 H 0.84173 0.68345 0.35949 1.00000 H2 H 0.84173 0.15828 0.35949 1.00000 H3 H 0.50000 0.00000 0.00000 1.00000 H4 H 0.15827 0.84172 0.64051 1.00000 H5 H 0.68345 0.84172 0.64051 1.00000 H6 H 0.31655 0.15828 0.35949 1.00000 H7 H 0.15827 0.31655 0.64051 1.00000 H8 H 0.00000 0.50000 0.00000 1.00000 H9 H 0.50000 0.50000 0.00000 1.00000