CRYSTAL
PRIMVEC 1
      0.0000000000       3.2161406343       3.2161406343
      3.2161406343       0.0000000000       3.2161406343
      3.2161406343       3.2161406343       0.0000000000
PRIMCOORD 1
2 1
56       0.0000000000       3.2161406343       3.2161406343
16       3.2161406343       0.0000000000       0.0000000000