$cell vectors
1.0
  6.1699970967572737    0.0000000000000000    0.0000000000000000
  0.0000000000000000    6.1699970967572737    0.0000000000000000
  0.0000000000000000    0.0000000000000000    8.5639959702802742
 16 4 8
Direct
  0.2719999999999997    0.0109999999999999    0.0090000000000001 # O1
  0.2919999999999998    0.5209999999999999    0.0150000000000001 # O2
  0.9889999999999993    0.2719999999999997    0.7589999999999996 # O3
  0.4790000000000001    0.2919999999999998    0.7649999999999995 # O4
  0.7279999999999994    0.9890000000000003    0.5089999999999999 # O5
  0.7080000000000003    0.4790000000000001    0.5150000000000000 # O6
  0.0109999999999999    0.7279999999999994    0.2589999999999997 # O7
  0.5209999999999999    0.7080000000000003    0.2649999999999997 # O8
  0.2719999999999997    0.9890000000000003    0.4909999999999999 # O9
  0.2919999999999998    0.4790000000000001    0.4849999999999998 # O10
  0.7280000000000003    0.0109999999999999    0.9909999999999998 # O11
  0.7080000000000003    0.5209999999999999    0.9849999999999998 # O12
  0.0109999999999999    0.2719999999999997    0.2410000000000002 # O13
  0.5209999999999999    0.2919999999999998    0.2350000000000002 # O14
  0.9889999999999993    0.7280000000000003    0.7410000000000001 # O15
  0.4790000000000001    0.7080000000000003    0.7349999999999994 # O16
  0.5000000000000000    0.2469999999999997    0.0000000000000000 # Ti1
  0.7529999999999996    0.5000000000000000    0.7500000000000002 # Ti2
  0.5000000000000000    0.7529999999999996    0.4999999999999999 # Ti3
  0.2469999999999997    0.5000000000000000    0.2499999999999996 # Ti4
  0.0000000000000000    0.2419999999999996    0.0000000000000000 # Mn1
  0.2409999999999998    0.2409999999999998    0.6250000000000001 # Mn2
  0.7579999999999997    0.0000000000000000    0.7500000000000002 # Mn3
  0.7589999999999995    0.2409999999999998    0.3749999999999998 # Mn4
  0.0000000000000000    0.7579999999999997    0.4999999999999999 # Mn5
  0.7589999999999995    0.7589999999999995    0.1250000000000001 # Mn6
  0.2419999999999996    0.0000000000000000    0.2499999999999996 # Mn7
  0.2409999999999998    0.7590000000000003    0.8749999999999997 # Mn8
