 Pb Se Br
   1.0
    17.9314408800000002    0.0000000000000000    0.2529459600000000
     0.0000000000000000    4.3109600800000001    0.0000000000000000
    -4.9695493500000003    0.0000000000000000    8.4300631999999993
 Pb Se Br
   8   2  12
Direct
   0.0099908000000000  0.0000000000000000  0.0088762900000000
   0.7611902200000000  0.5000000000000000  0.0190124200000000
   0.0019724600000000  0.5000000000000000  0.5276580000000000
   0.2727431600000000  0.5000000000000000  0.5487310399999998
   0.5099908000000000  0.5000000000000000  0.0088762900000000
   0.2611902200000000  0.0000000000000000  0.0190124200000000
   0.5019724600000000  0.0000000000000000  0.5276580000000000
   0.7727431600000000  0.0000000000000000  0.5487310399999998
   0.9748381300000000  0.0000000000000000  0.6893843600000000
   0.4748381300000000  0.5000000000000000  0.6893843600000000
   0.3660833400000000  0.0000000000000000  0.8441042900000000
   0.6395593600000000  0.0000000000000000  0.0899441500000000
   0.1261379800000000  0.0000000000000000  0.4233157800000000
   0.8934989200000000  0.0000000000000000  0.1829300200000000
   0.8077846700000000  0.5000000000000000  0.3713747500000000
   0.1886369300000000  0.5000000000000000  0.7693098700000001
   0.8660833400000000  0.5000000000000000  0.8441042900000000
   0.1395593600000000  0.5000000000000000  0.0899441500000000
   0.6261379800000000  0.5000000000000000  0.4233157800000000
   0.3934989200000000  0.5000000000000000  0.1829300200000000
   0.3077846700000000  0.0000000000000000  0.3713747500000000
   0.6886369299999999  0.0000000000000000  0.7693098700000001