$cell vectors
1.0
  7.9699962497820849    0.0000000000000000    0.0000000000000000
  0.0000000000000000   11.7219944843093593    0.0000000000000000
  0.0000000000000000    0.0000000000000000    4.3739979418502930
 4 4 12 28
Direct
  0.2500000000000003    0.2499999999999998    0.0000000000000000 # Ca1
  0.7500000000000004    0.7499999999999998    0.0000000000000000 # Ca2
  0.7499999999999997    0.2499999999999998    0.0000000000000000 # Ca3
  0.2500000000000003    0.7499999999999998    0.0000000000000000 # Ca4
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # Al1
  0.0000000000000000    0.5000000000000000    0.0000000000000000 # Al2
  0.5000000000000000    0.0000000000000000    0.0000000000000000 # Al3
  0.5000000000000000    0.5000000000000000    0.0000000000000000 # Al4
  0.2500000000000003    0.0000000000000000    0.4999999999999995 # B1
  0.0000000000000000    0.1364999999999999    0.4571000000000002 # B2
  0.7499999999999997    0.5000000000000000    0.4999999999999995 # B3
  0.5000000000000000    0.6364999999999998    0.4571000000000002 # B4
  0.7499999999999997    0.0000000000000000    0.4999999999999995 # B5
  0.0000000000000000    0.8635000000000002    0.5428999999999998 # B6
  0.0000000000000000    0.3635000000000001    0.4571000000000002 # B7
  0.5000000000000000    0.8635000000000002    0.4571000000000002 # B8
  0.0000000000000000    0.6364999999999998    0.5428999999999998 # B9
  0.5000000000000000    0.1364999999999999    0.5428999999999998 # B10
  0.2500000000000003    0.5000000000000000    0.4999999999999995 # B11
  0.5000000000000000    0.3635000000000001    0.5428999999999998 # B12
  0.0000000000000000    0.2499999999999998    0.3289000000000000 # O1
  0.0000000000000000    0.1310999999999999    0.7769999999999999 # O2
  0.1465999999999999    0.0731000000000001    0.2990000000000002 # O3
  0.5000000000000000    0.7499999999999998    0.3289000000000000 # O4
  0.5000000000000000    0.6311000000000000    0.7769999999999999 # O5
  0.6466000000000000    0.5731000000000002    0.2990000000000002 # O6
  0.0000000000000000    0.7499999999999998    0.6711000000000001 # O7
  0.5000000000000000    0.2500000000000003    0.6711000000000001 # O8
  0.5000000000000000    0.3689000000000001    0.2230000000000002 # O9
  0.3534000000000001    0.4268999999999999    0.7009999999999998 # O10
  0.0000000000000000    0.3689000000000001    0.7769999999999999 # O11
  0.8534000000000002    0.4268999999999999    0.2990000000000002 # O12
  0.5000000000000000    0.8689000000000001    0.7769999999999999 # O13
  0.3534000000000001    0.9269000000000001    0.2990000000000002 # O14
  0.0000000000000000    0.6311000000000000    0.2230000000000002 # O15
  0.1465999999999999    0.5731000000000002    0.7009999999999998 # O16
  0.5000000000000000    0.1310999999999999    0.2230000000000002 # O17
  0.6466000000000000    0.0731000000000001    0.7009999999999998 # O18
  0.1465999999999999    0.9269000000000001    0.7009999999999998 # O19
  0.6466000000000000    0.4268999999999999    0.7009999999999998 # O20
  0.8534000000000002    0.0731000000000001    0.2990000000000002 # O21
  0.3534000000000001    0.5731000000000002    0.2990000000000002 # O22
  0.8534000000000002    0.5731000000000002    0.7009999999999998 # O23
  0.3534000000000001    0.0731000000000001    0.7009999999999998 # O24
  0.1465999999999999    0.4268999999999999    0.2990000000000002 # O25
  0.6466000000000000    0.9269000000000001    0.2990000000000002 # O26
  0.0000000000000000    0.8689000000000001    0.2230000000000002 # O27
  0.8534000000000002    0.9269000000000001    0.7009999999999998 # O28
