struct.xsf 269 Bytes
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 CRYSTAL
 PRIMVEC
2.9661629 .0000000 .0000000
.0000000 2.9661629 .0000000
.0000000 .0000000 4.1947877
 PRIMCOORD
           4  1
  28  .0000000 .0000000 .0000000
   8  1.4830815 1.4830815 .0000000
  28  1.4830815 1.4830815 2.0973939
   8  .0000000 .0000000 2.0973939