$cell vectors
1.0
  6.4179969800629122    0.0000000000000000    0.0000000000000000
  0.0000000000000000   11.3659946518222270    0.0000000000000000
  0.0000000000000000    0.0000000000000000    6.3839969960613354
 4 16
Direct
  0.0000000000000000    0.2500000000000001    0.2499999999999998 # Pt1
  0.5000000000000004    0.7500000000000001    0.2499999999999998 # Pt2
  0.0000000000000000    0.7500000000000001    0.7500000000000001 # Pt3
  0.5000000000000004    0.2500000000000001    0.7500000000000001 # Pt4
  0.3338999999999998    0.1233000000000002    0.0840000000000000 # Sn1
  0.8339000000000003    0.6233000000000004    0.0840000000000000 # Sn2
  0.6661000000000002    0.8767000000000000    0.9159999999999998 # Sn3
  0.1660999999999999    0.3767000000000003    0.9159999999999998 # Sn4
  0.6661000000000002    0.3766999999999998    0.0840000000000000 # Sn5
  0.1660999999999999    0.8767000000000000    0.0840000000000000 # Sn6
  0.3338999999999998    0.6233000000000004    0.9159999999999998 # Sn7
  0.8339000000000003    0.1233000000000002    0.9159999999999998 # Sn8
  0.3338999999999998    0.3766999999999998    0.4159999999999995 # Sn9
  0.8339000000000003    0.8767000000000000    0.4159999999999995 # Sn10
  0.6661000000000002    0.6233000000000004    0.5839999999999995 # Sn11
  0.1660999999999999    0.1233000000000002    0.5839999999999995 # Sn12
  0.6661000000000002    0.1233000000000002    0.4159999999999995 # Sn13
  0.1660999999999999    0.6233000000000004    0.4159999999999995 # Sn14
  0.3338999999999998    0.8767000000000000    0.5839999999999995 # Sn15
  0.8339000000000003    0.3766999999999998    0.5839999999999995 # Sn16
