2 Lattice="3.009 0.0 0.0 0.0 3.009 0.0 0.0 0.0 4.041" Properties=species:S:1:pos:R:3:tags:I:1 pbc="T T T" Hg 0.00000000 0.00000000 0.00000000 0 Ti 1.50450000 1.50450000 2.02050000 0