$cell vectors
1.0
  7.4829964789359247    0.0000000000000000    0.0000000000000000
  0.0000000000000000    7.4829964789359247    0.0000000000000000
  0.0000000000000000    0.0000000000000000   14.8929929922214050
 2 4 16 40
Direct
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # Th1
  0.5000000000000001    0.5000000000000001    0.4999999999999998 # Th2
  0.5000000000000001    0.0000000000000000    0.0000000000000000 # Ca1
  0.0000000000000000    0.5000000000000001    0.4999999999999998 # Ca2
  0.0000000000000000    0.5000000000000001    0.0000000000000000 # Ca3
  0.5000000000000001    0.0000000000000000    0.4999999999999998 # Ca4
  0.3334999999999999    0.2540000000000004    0.1478999999999999 # Si1
  0.8335000000000007    0.7540000000000004    0.6479000000000001 # Si2
  0.7460000000000003    0.3334999999999999    0.1478999999999999 # Si3
  0.2460000000000003    0.8335000000000007    0.6479000000000001 # Si4
  0.6665000000000002    0.7460000000000003    0.1478999999999999 # Si5
  0.1665000000000002    0.2460000000000003    0.6479000000000001 # Si6
  0.2540000000000004    0.6665000000000002    0.1478999999999999 # Si7
  0.7540000000000004    0.1665000000000002    0.6479000000000001 # Si8
  0.3335000000000005    0.7460000000000003    0.8520999999999999 # Si9
  0.8335000000000007    0.2460000000000003    0.3521000000000000 # Si10
  0.6665000000000002    0.2540000000000004    0.8520999999999999 # Si11
  0.1665000000000002    0.7540000000000004    0.3521000000000000 # Si12
  0.2540000000000004    0.3335000000000005    0.8520999999999999 # Si13
  0.7540000000000004    0.8335000000000007    0.3521000000000000 # Si14
  0.7460000000000003    0.6665000000000002    0.8520999999999999 # Si15
  0.2460000000000003    0.1665000000000002    0.3521000000000000 # Si16
  0.7924000000000001    0.2924000000000000    0.2500000000000001 # O1
  0.2544000000000001    0.4520999999999999    0.1251000000000000 # O2
  0.2553000000000000    0.1075000000000001    0.0817999999999999 # O3
  0.2924000000000000    0.7924000000000001    0.7499999999999999 # O4
  0.7544000000000002    0.9521000000000006    0.6250999999999999 # O5
  0.7553000000000007    0.6075000000000003    0.5817999999999998 # O6
  0.7076000000000000    0.7924000000000001    0.2500000000000001 # O7
  0.5479000000000002    0.2544000000000001    0.1251000000000000 # O8
  0.8925000000000001    0.2553000000000000    0.0817999999999999 # O9
  0.2076000000000000    0.2924000000000000    0.7499999999999999 # O10
  0.0479000000000001    0.7544000000000002    0.6250999999999999 # O11
  0.3925000000000000    0.7553000000000007    0.5817999999999998 # O12
  0.2076000000000000    0.7076000000000000    0.2500000000000001 # O13
  0.7456000000000000    0.5479000000000002    0.1251000000000000 # O14
  0.7447000000000001    0.8925000000000001    0.0817999999999999 # O15
  0.7076000000000000    0.2076000000000000    0.7499999999999999 # O16
  0.2456000000000000    0.0479000000000001    0.6250999999999999 # O17
  0.2447000000000001    0.3925000000000000    0.5817999999999998 # O18
  0.2924000000000000    0.2076000000000000    0.2500000000000001 # O19
  0.4520999999999999    0.7456000000000000    0.1251000000000000 # O20
  0.1075000000000001    0.7447000000000001    0.0817999999999999 # O21
  0.7924000000000001    0.7076000000000000    0.7499999999999999 # O22
  0.9521000000000006    0.2456000000000000    0.6250999999999999 # O23
  0.6075000000000003    0.2447000000000001    0.5817999999999998 # O24
  0.2544000000000001    0.5479000000000002    0.8749000000000000 # O25
  0.2553000000000000    0.8925000000000006    0.9181999999999997 # O26
  0.7544000000000002    0.0479000000000001    0.3748999999999998 # O27
  0.7553000000000007    0.3925000000000000    0.4182000000000000 # O28
  0.7456000000000007    0.4521000000000007    0.8749000000000000 # O29
  0.7447000000000001    0.1075000000000001    0.9181999999999997 # O30
  0.2456000000000000    0.9521000000000006    0.3748999999999998 # O31
  0.2447000000000001    0.6075000000000003    0.4182000000000000 # O32
  0.4520999999999999    0.2544000000000001    0.8749000000000000 # O33
  0.1075000000000001    0.2553000000000006    0.9181999999999997 # O34
  0.9520999999999999    0.7544000000000002    0.3748999999999998 # O35
  0.6075000000000003    0.7553000000000007    0.4182000000000000 # O36
  0.5479000000000002    0.7456000000000007    0.8749000000000000 # O37
  0.8925000000000001    0.7447000000000001    0.9181999999999997 # O38
  0.0479000000000001    0.2456000000000000    0.3748999999999998 # O39
  0.3925000000000000    0.2447000000000001    0.4182000000000000 # O40