 Li N Ca
   1.0
     8.3955018199999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.6261493599999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.4762760300000002
 Li N Ca
   4   4   4
Direct
   0.0485705200000000  0.2500000000000000  0.5739701400000000
   0.9514294800000000  0.7500000000000000  0.4260298600000000
   0.4514294800000000  0.7500000000000000  0.0739701400000000
   0.5485705200000000  0.2500000000000000  0.9260298600000000
   0.0931357400000000  0.7500000000000000  0.7414318400000000
   0.5931357400000000  0.7500000000000000  0.7585681600000000
   0.9068642600000000  0.2500000000000000  0.2585681600000000
   0.4068642600000000  0.2500000000000000  0.2414318400000000
   0.6560448900000000  0.2500000000000000  0.4732741400000000
   0.8439551100000000  0.7500000000000000  0.9732741400000000
   0.1560448900000000  0.2500000000000000  0.0267258600000000
   0.3439551100000000  0.7500000000000000  0.5267258600000000