$cell vectors
1.0
  3.8989981653576335    0.0000000000000000    0.0000000000000000
  0.0000000000000000    3.8989981653576335    0.0000000000000000
  0.0000000000000000    0.0000000000000000    4.1669980392524382
 1 1 3
Direct
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # Pb1
  0.4999999999999999    0.4999999999999999    0.5410000000000003 # Ti1
  0.4999999999999999    0.4999999999999999    0.1147999999999999 # O1
  0.4999999999999999    0.0000000000000000    0.6208000000000005 # O2
  0.0000000000000000    0.4999999999999999    0.6208000000000005 # O3