$cell vectors
1.0
  8.4189960385088316    0.0000000000000000    0.0000000000000000
  0.0000000000000000    8.4189960385088316    0.0000000000000000
  0.0000000000000000    0.0000000000000000    8.4189960385088316
 8 8 12
Direct
  0.5232000000000002    0.5232000000000002    0.5232000000000002 # K1
  0.0232000000000002    0.0232000000000002    0.0232000000000002 # K2
  0.4767999999999998    0.9767999999999998    0.5232000000000002 # K3
  0.9767999999999998    0.4767999999999998    0.0232000000000002 # K4
  0.5232000000000002    0.4767999999999998    0.9767999999999998 # K5
  0.0232000000000002    0.9767999999999998    0.4767999999999998 # K6
  0.9767999999999998    0.5232000000000002    0.4767999999999998 # K7
  0.4767999999999998    0.0232000000000002    0.9767999999999998 # K8
  0.2561999999999997    0.2561999999999997    0.2561999999999997 # Pb1
  0.7561999999999998    0.7561999999999998    0.7561999999999998 # Pb2
  0.7437999999999997    0.2437999999999997    0.2561999999999997 # Pb3
  0.2438000000000003    0.7437999999999997    0.7561999999999998 # Pb4
  0.2561999999999997    0.7437999999999997    0.2437999999999997 # Pb5
  0.7561999999999998    0.2438000000000003    0.7437999999999997 # Pb6
  0.2437999999999997    0.2562000000000004    0.7437999999999997 # Pb7
  0.7437999999999997    0.7561999999999998    0.2437999999999997 # Pb8
  0.2887000000000001    0.0000000000000000    0.2500000000000000 # O1
  0.7887000000000002    0.5000000000000000    0.7500000000000000 # O2
  0.2500000000000000    0.2887000000000001    0.0000000000000000 # O3
  0.7500000000000000    0.7887000000000002    0.5000000000000000 # O4
  0.0000000000000000    0.2500000000000000    0.2887000000000001 # O5
  0.5000000000000000    0.7500000000000000    0.7887000000000002 # O6
  0.2500000000000000    0.7113000000000000    0.5000000000000000 # O7
  0.7500000000000000    0.2112999999999999    0.0000000000000000 # O8
  0.5000000000000000    0.2500000000000000    0.7113000000000000 # O9
  0.0000000000000000    0.7500000000000000    0.2112999999999999 # O10
  0.7113000000000000    0.5000000000000000    0.2500000000000000 # O11
  0.2112999999999999    0.0000000000000000    0.7500000000000000 # O12
