Perovskite Bulk ideal
   1.00000000000000
     8 7 6
     5 4 3
     2 1 0
   Sc   Ti   W
   8   8  24
Direct
  0.1000000000000000  0.2000000000000000  0.3000000000000000
  0.4000000000000000  0.5000000000000000  0.6000000000000000
  0.0000000000000000  0.5000000000000000  0.0000000000000000
  0.0000000000000000  0.5000000000000000  0.5000000000000000
  0.2000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.0000000000000000  0.5000000000000000
  0.5000000000000000  0.5000000000000000  0.0000000000000000
  0.5000000000000000  0.5000000000000000  0.5000000000000000
  0.2500000000000000  0.2500000000000000  0.2500000000000000
  0.2500000000000000  0.2500000000000000  0.7500000000000000
  0.2500000000000000  0.7500000000000000  0.2500000000000000
  0.2500000000000000  0.7500000000000000  0.7500000000000000
  0.7500000000000000  0.2500000000000000  0.2500000000000000
  0.7500000000000000  0.2500000000000000  0.7500000000000000
  0.7500000000000000  0.7500000000000000  0.2500000000000000
  0.7500000000000000  0.7500000000000000  0.7500000000000000
  0.2500000000000000  0.2500000000000000  0.0000000000000000
  0.0000000000000000  0.2500000000000000  0.2500000000000000
  0.2500000000000000  0.0000000000000000  0.2500000000000000
  0.2500000000000000  0.2500000000000000  0.5000000000000000
  0.0000000000000000  0.3000000000000000  0.7500000000000000
  0.2500000000000000  0.8000000000000000  0.7500000000000000
  0.2500000000000000  0.7500000000000000  0.0000000000000000
  0.0000000000000000  0.7500000000000000  0.2500000000000000
  0.2500000000000000  0.5000000000000000  0.2500000000000000
  0.2500000000000000  0.7500000000000000  0.5000000000000000
  0.0000000000000000  0.7500000000000000  0.7500000000000000
  0.2500000000000000  0.5000000000000000  0.7500000000000000
  0.7500000000000000  0.2500000000000000  0.0000000000000000
  0.5000000000000000  0.2500000000000000  0.2500000000000000
  0.7500000000000000  0.0000000000000000  0.2500000000000000
  0.7500000000000000  0.2500000000000000  0.5000000000000000
  0.5000000000000000  0.2500000000000000  0.7500000000000000
  0.7500000000000000  0.0000000000000000  0.7500000000000000
  0.7500000000000000  0.7500000000000000  0.0000000000000000
  0.5000000000000000  0.7500000000000000  0.2500000000000000
  0.7500000000000000  0.5000000000000000  0.2500000000000000
  0.7500000000000000  0.7500000000000000  0.5000000000000000
  0.5000000000000000  0.7500000000000000  0.7500000000000000
  0.7575757575757575  0.1212121212121212  0.3333333333333333
