primitive cell
 1.0000000
      3.642400000000      0.000000000000      0.000000000000
      0.000000000000      3.642400000000      0.000000000000
      0.000000000000      0.000000000000     22.801300000000
C  
  6
Direct
     0.130019999999999997     0.630020000000000024     0.526440000000000019
     0.869979999999999976     0.369979999999999976     0.526440000000000019
     0.630020000000000024     0.869979999999999976     0.473559999999999981
     0.369979999999999976     0.130019999999999997     0.473559999999999981
     0.000000000000000000     0.000000000000000000     0.500000000000000000
     0.500000000000000000     0.500000000000000000     0.500000000000000000
