Ca  O  S 
 1.0000000000000000
     7.2034358114287897    0.0000000000000000    0.0000000000000000
     0.0000000000000524    6.9530925694540597    0.0000000000000000
     0.0000000000001109    0.0000000000000287   12.3719519967707008
 Ca  O   S  
   8  32   8
Cartesian
  1.8008589322496618  6.9530925595153397  4.1261103764362383
  5.4025768379639372  6.9530925595153832  2.0598656219490996
  1.8008589322496005  3.4765462747883440  1.0331223772435647
  5.4025768379640029  3.4765462747883609  5.1528536211417748
  1.8008589322496233  6.9530925595153539 10.3120863748215896
  5.4025768379640207  6.9530925595153841  8.2458416203344491
  1.8008589322496917  3.4765462747883173  7.2190983756289269
  5.4025768379640580  3.4765462747883542 11.3388296195271252
  1.8008589322494872  5.7514968481282862  0.1411755683086011
  0.5977132988845484  6.9530925595154249  1.8609830280880557
  3.0040045656144785  6.9530925595154107  1.8609830280880308
  1.8008589322494530  1.2015957014484393  0.1411755683085603
  5.4025768379640358  5.7514968481282933  6.0448004300767293
  6.6057224713290470  6.9530925595154445  4.3249929702973438
  4.1994312045991204  6.9530925595153743  4.3249929702972327
  5.4025768379639008  1.2015957014484393  6.0448004300767666
  1.8008589322495896  2.2749505634012221  3.2341635675012839
  0.5977132988846393  3.4765462747883604  4.9539710272807307
  3.0040045656145735  3.4765462747883533  4.9539710272807183
  1.8008589322496007  4.6781419861754205  3.2341635675012346
  5.4025768379639816  2.2749505634012355  2.9518124308840914
  6.6057224713289626  3.4765462747882823  1.2320049711046108
  4.1994312045990290  3.4765462747883098  1.2320049711046011
  5.4025768379640144  4.6781419861754481  2.9518124308840421
  1.8008589322495498  5.7514968481282462  6.3271515666939591
  0.5977132988846429  6.9530925595153903  8.0469590264734432
  3.0040045656145695  6.9530925595153557  8.0469590264733828
  1.8008589322495372  1.2015957014483911  6.3271515666939218
  5.4025768379639398  5.7514968481282454 12.2307764284621658
  6.6057224713289937  6.9530925595153050 10.5109689686827448
  4.1994312045990601  6.9530925595152144 10.5109689686825583
  5.4025768379637968  1.2015957014484049 12.2307764284620664
  1.8008589322496233  2.2749505634012297  9.4201395658866467
  0.5977132988847040  3.4765462747883746 11.1399470256661193
  3.0040045656146361  3.4765462747883675 11.1399470256660571
  1.8008589322496271  4.6781419861754427  9.4201395658865970
  5.4025768379641299  2.2749505634012501  9.1377884292694294
  6.6057224713290692  3.4765462747883245  7.4179809694899319
  4.1994312045991427  3.4765462747883800  7.4179809694899941
  5.4025768379641921  4.6781419861754623  9.1377884292694169
  1.8008589322495039  6.9530925595154018  0.9996335447640617
  5.4025768379640438  6.9530925595154045  5.1863424536212737
  1.8008589322495991  3.4765462747883373  4.0926215439567395
  5.4025768379639967  3.4765462747883191  2.0933544544285865
  1.8008589322495883  6.9530925595153539  7.1856095431494262
  5.4025768379639700  6.9530925595153148 11.3723184520066365
  1.8008589322496473  3.4765462747883520 10.2785975423421139
  5.4025768379641317  3.4765462747883542  8.2793304528139497