$cell vectors
1.0
  5.4768974228897713    0.0000000000000000    0.0000000000000000
  0.0000000000000000    5.4768974228897713    0.0000000000000000
  0.0000000000000000    0.0000000000000000   20.7962902144721653
 12 8 36
Direct
  0.2500000000000005    0.2500000000000005    0.0000000000000000 # Sr1
  0.7500000000000006    0.2500000000000005    0.4999999999999999 # Sr2
  0.2500000000000005    0.2500000000000005    0.1866000000000000 # Sr3
  0.7500000000000006    0.2500000000000005    0.3132999999999999 # Sr4
  0.7500000000000006    0.7500000000000006    0.0000000000000000 # Sr5
  0.2500000000000005    0.7500000000000006    0.4999999999999999 # Sr6
  0.7500000000000006    0.7500000000000006    0.8133999999999998 # Sr7
  0.2500000000000005    0.7500000000000006    0.6867000000000001 # Sr8
  0.2500000000000005    0.2500000000000005    0.8133999999999998 # Sr9
  0.7500000000000006    0.2500000000000005    0.6867000000000001 # Sr10
  0.7500000000000006    0.7500000000000006    0.1866000000000000 # Sr11
  0.2500000000000005    0.7500000000000006    0.3132999999999999 # Sr12
  0.7500000000000006    0.2500000000000005    0.0974000000000000 # Ru1
  0.2500000000000005    0.2500000000000005    0.4025999999999999 # Ru2
  0.2500000000000005    0.7500000000000006    0.9025999999999998 # Ru3
  0.7500000000000006    0.7500000000000006    0.5973999999999999 # Ru4
  0.7500000000000006    0.2500000000000005    0.9025999999999998 # Ru5
  0.2500000000000005    0.2500000000000005    0.5973999999999999 # Ru6
  0.2500000000000005    0.7500000000000006    0.0974000000000000 # Ru7
  0.7500000000000006    0.7500000000000006    0.4025999999999999 # Ru8
  0.7500000000000006    0.2500000000000005    0.0000000000000000 # O1
  0.2500000000000005    0.2500000000000005    0.4999999999999999 # O2
  0.7500000000000006    0.2500000000000005    0.1954000000000000 # O3
  0.2500000000000005    0.2500000000000005    0.3045999999999999 # O4
  0.4647000000000000    0.0352999999999999    0.0966000000000000 # O5
  0.5352999999999999    0.0352999999999999    0.4033999999999999 # O6
  0.4647000000000000    0.9650000000000006    0.4033999999999999 # O7
  0.2500000000000005    0.7500000000000006    0.0000000000000000 # O8
  0.7500000000000006    0.7500000000000006    0.4999999999999999 # O9
  0.2500000000000005    0.7500000000000006    0.8046000000000001 # O10
  0.7500000000000006    0.7500000000000006    0.6954000000000000 # O11
  0.5353000000000009    0.9647000000000010    0.9034000000000000 # O12
  0.4647000000000000    0.9647000000000010    0.5965999999999999 # O13
  0.5352999999999999    0.0350000000000003    0.5965999999999999 # O14
  0.0352999999999999    0.4647000000000000    0.0966000000000000 # O15
  0.9646999999999999    0.4647000000000000    0.4033999999999999 # O16
  0.0352999999999999    0.5350000000000004    0.4033999999999999 # O17
  0.9646999999999999    0.5353000000000009    0.9034000000000000 # O18
  0.0352999999999999    0.5353000000000009    0.5965999999999999 # O19
  0.9646999999999999    0.4650000000000006    0.5965999999999999 # O20
  0.7500000000000006    0.2500000000000005    0.8046000000000001 # O21
  0.2500000000000005    0.2500000000000005    0.6954000000000000 # O22
  0.4647000000000000    0.4647000000000011    0.9034000000000000 # O23
  0.5352999999999999    0.4647000000000000    0.5965999999999999 # O24
  0.4647000000000000    0.5350000000000004    0.5965999999999999 # O25
  0.2500000000000005    0.7500000000000006    0.1954000000000000 # O26
  0.7500000000000006    0.7500000000000006    0.3045999999999999 # O27
  0.5352999999999999    0.5352999999999999    0.0966000000000000 # O28
  0.4647000000000000    0.5352999999999999    0.4033999999999999 # O29
  0.5352999999999999    0.4650000000000006    0.4033999999999999 # O30
  0.0352999999999999    0.0352999999999999    0.9034000000000000 # O31
  0.9646999999999999    0.0352999999999999    0.5965999999999999 # O32
  0.0352999999999999    0.9650000000000006    0.5965999999999999 # O33
  0.9646999999999999    0.9646999999999999    0.0966000000000000 # O34
  0.0352999999999999    0.9646999999999999    0.4033999999999999 # O35
  0.9646999999999999    0.0350000000000003    0.4033999999999999 # O36
