$cell vectors
1.0
  7.0576966790573437    0.0000000000000000    0.0000000000000000
  0.0000000000000000    7.0576966790573437    0.0000000000000000
  0.0000000000000000    0.0000000000000000    9.9783953047459910
 4 2 12
Direct
  0.4999999999999996    0.0000000000000000    0.2499999999999999 # K1
  0.0000000000000000    0.4999999999999996    0.7500000000000001 # K2
  0.0000000000000000    0.4999999999999996    0.2499999999999999 # K3
  0.4999999999999996    0.0000000000000000    0.7500000000000001 # K4
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # Sn1
  0.4999999999999996    0.4999999999999996    0.5000000000000002 # Sn2
  0.2511000000000000    0.2216999999999998    0.0000000000000000 # Cl1
  0.0000000000000000    0.0000000000000000    0.2523000000000003 # Cl2
 -0.2216999999999998    0.2511000000000000    0.0000000000000000 # Cl3
  0.2216999999999998   -0.2511000000000000    0.0000000000000000 # Cl4
 -0.2511000000000000   -0.2216999999999998    0.0000000000000000 # Cl5
  0.0000000000000000    0.0000000000000000   -0.2523000000000003 # Cl6
  0.2488999999999996    0.7217000000000001    0.5000000000000002 # Cl7
  0.7510999999999997    0.2782999999999998    0.5000000000000002 # Cl8
  0.4999999999999996    0.4999999999999996    0.7523000000000001 # Cl9
  0.7216999999999992    0.7510999999999997    0.5000000000000002 # Cl10
  0.4999999999999996    0.4999999999999996    0.2477000000000000 # Cl11
  0.2782999999999998    0.2488999999999996    0.5000000000000002 # Cl12
