 Pb Se Br
   1.0
     4.3189534500000004    0.0000000000000000    0.0000000000000000
     0.0000000000000000   15.4663319099999992    0.0000000000000000
     0.0000000000000000    0.0000000000000000    9.7708945899999993
 Pb Se Br
   8   2  12
Direct
   0.0000000000000000  0.5000000000000000  0.0025712100000000
   0.5000000000000000  0.2405204800000000  0.2736126500000000
   0.5000000000000000  0.5000000000000000  0.5255933600000000
   0.5000000000000000  0.7594795200000000  0.2736126500000000
   0.5000000000000000  0.0000000000000000  0.5025712099999999
   0.0000000000000000  0.7405204800000000  0.7736126500000000
   0.0000000000000000  0.0000000000000000  0.0255933600000000
   0.0000000000000000  0.2594795200000000  0.7736126500000000
   0.0000000000000000  0.5000000000000000  0.7121564499999999
   0.5000000000000000  0.0000000000000000  0.2121564500000000
   0.0000000000000000  0.8627565699999999  0.4661368500000000
   0.0000000000000000  0.1372434300000000  0.4661368500000000
   0.0000000000000000  0.6197235100000000  0.2908442900000000
   0.0000000000000000  0.3802764900000000  0.2908442900000000
   0.5000000000000000  0.3093839900000000  0.5725900500000001
   0.5000000000000000  0.6906160100000001  0.5725900500000001
   0.5000000000000000  0.3627565700000000  0.9661368500000000
   0.5000000000000000  0.6372434300000001  0.9661368500000000
   0.5000000000000000  0.1197235100000000  0.7908442900000000
   0.5000000000000000  0.8802764900000000  0.7908442900000000
   0.0000000000000000  0.8093839899999999  0.0725900500000000
   0.0000000000000000  0.1906160100000000  0.0725900500000000