$cell vectors
1.0
  4.3499979531432977    0.0000000000000000    0.0000000000000000
  0.0000000000000000    4.3499979531432977    0.0000000000000000
  0.0000000000000000    0.0000000000000000   13.7299935394614856
 4 4
Direct
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # Au1
  0.5000000000000000    0.0000000000000000    0.4999999999999999 # Au2
  0.5000000000000000    0.5000000000000000    0.0000000000000000 # Au3
  0.0000000000000000    0.5000000000000000    0.4999999999999999 # Au4
  0.2500000000000001    0.2500000000000001    0.1530000000000000 # I1
  0.7500000000000001    0.7500000000000001    0.8469999999999996 # I2
  0.2500000000000001    0.2500000000000001    0.6529999999999999 # I3
  0.7500000000000001    0.7500000000000001    0.3469999999999999 # I4
