File: 172_ext.xyz

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Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:molid:I:1:type:S:1 pbc="T T T"
O       1.613900000000000     -0.762100000000000     -0.000000000000000 1 O
C      -0.327900000000000      0.522700000000000      0.000000000000000 1 CT
C       0.392400000000000     -0.722900000000000     -0.000000000000000 1 C
H      -0.960000000000000      0.580900000000000      0.887500000000000 1 HC
H      -0.960000000000000      0.580900000000000     -0.887500000000000 1 HC
H       0.346400000000000      1.382000000000000      0.000000000000000 1 HC
H      -0.104900000000000     -1.581400000000000     -0.000000000000000 1 H1