$cell vectors
1.0
  8.5879959589872694    0.0000000000000000    0.0000000000000000
  0.0000000000000000    8.7659958752308338    0.0000000000000000
  0.0000000000000000    0.0000000000000000    9.3429956037282338
 4 12 20
Direct
  0.9200000000000000    0.2500000000000000    0.2500000000000000 # I1
  0.0800000000000004    0.7499999999999999    0.7499999999999999 # I2
  0.5800000000000000    0.7499999999999999    0.2500000000000000 # I3
  0.4199999999999998    0.2500000000000000    0.7499999999999999 # I4
  0.4540000000000000    0.2500000000000000    0.2500000000000000 # Rb1
  0.2500000000000002    0.0000000000000000    0.5170000000000000 # Rb2
  0.0000000000000000    0.0000000000000000    0.5000000000000000 # Rb3
  0.7499999999999997    0.0000000000000000    0.4829999999999999 # Rb4
  0.5000000000000003    0.0000000000000000    0.5000000000000000 # Rb5
  0.2500000000000002    0.5000000000000000    0.9829999999999998 # Rb6
  0.0000000000000000    0.5000000000000000    0.0000000000000000 # Rb7
  0.5459999999999998    0.7499999999999999    0.7499999999999999 # Rb8
  0.7499999999999997    0.5000000000000000    0.0170000000000001 # Rb9
  0.0460000000000002    0.7499999999999999    0.2500000000000000 # Rb10
  0.5000000000000003    0.5000000000000000    0.0000000000000000 # Rb11
  0.9539999999999995    0.2500000000000000    0.7499999999999999 # Rb12
  0.7760000000000002    0.2500000000000000    0.2500000000000000 # O1
  0.0159999999999998    0.4479999999999998    0.2899999999999996 # O2
  0.0159999999999998    0.2060000000000003    0.4360000000000002 # O3
  0.2760000000000001    0.2500000000000000    0.7499999999999999 # O4
  0.5160000000000000    0.4479999999999998    0.7099999999999997 # O5
  0.5160000000000000    0.2060000000000003    0.5640000000000003 # O6
  0.0159999999999998    0.0520000000000001    0.2100000000000003 # O7
  0.0159999999999998    0.2940000000000003    0.0639999999999998 # O8
  0.2240000000000001    0.7499999999999999    0.7499999999999999 # O9
  0.9839999999999999    0.9479999999999997    0.7900000000000001 # O10
  0.9839999999999999    0.7060000000000002    0.9360000000000001 # O11
  0.7240000000000003    0.7499999999999999    0.2500000000000000 # O12
  0.4840000000000003    0.9479999999999997    0.2099999999999997 # O13
  0.4839999999999997    0.7060000000000002    0.0639999999999998 # O14
  0.5160000000000000    0.0520000000000001    0.7900000000000001 # O15
  0.5160000000000000    0.2940000000000003    0.9360000000000001 # O16
  0.9839999999999999    0.5520000000000002    0.7099999999999997 # O17
  0.9839999999999999    0.7940000000000004    0.5640000000000003 # O18
  0.4839999999999997    0.5520000000000002    0.2899999999999996 # O19
  0.4839999999999997    0.7940000000000004    0.4360000000000002 # O20
