$cell vectors
1.0
 16.2779923405210489    0.0000000000000000    0.0000000000000000
  0.0000000000000000    5.6320973498616942    0.0000000000000000
 -9.3425844380395358    0.0000000000000000    9.3759078039472250
 12 8 40 24
Direct
  0.1967999999999999    0.0370000000000002    0.2919999999999998 # Ca1
  0.8017000000000002    0.0499000000000000    0.2121000000000002 # Ca2
  0.5038999999999998    0.0282000000000005    0.0312999999999999 # Ca3
  0.6968000000000001    0.5370000000000003    0.2919999999999998 # Ca4
  0.3017000000000000    0.5498999999999999    0.2121000000000002 # Ca5
  0.0039000000000000    0.5281999999999996    0.0312999999999999 # Ca6
  0.1968000000000000    0.9630000000000000    0.7919999999999997 # Ca7
  0.8016999999999999    0.9501000000000002    0.7120999999999996 # Ca8
  0.5039000000000000    0.9717999999999996    0.5313000000000000 # Ca9
  0.6967999999999999    0.4629999999999999    0.7919999999999997 # Ca10
  0.3016999999999998    0.4501000000000001    0.7120999999999996 # Ca11
  0.0038999999999998    0.4717999999999996    0.5313000000000000 # Ca12
  0.1176000000000000    0.0512000000000001    0.0018000000000002 # Si1
  0.8692000000000002    0.9806999999999994    0.0018000000000002 # Si2
  0.6176000000000001    0.5512000000000001    0.0018000000000002 # Si3
  0.3692000000000001    0.4806999999999995    0.0018000000000002 # Si4
  0.1176000000000001    0.9488000000000001    0.5018000000000002 # Si5
  0.8692000000000002    0.0192999999999996    0.5018000000000002 # Si6
  0.6176000000000000    0.4487999999999999    0.5018000000000002 # Si7
  0.3692000000000002    0.5192999999999997    0.5018000000000002 # Si8
 -0.0098000000000000    0.9093999999999999    0.3428999999999999 # O1
  1.0019000000000002    0.9087999999999995    0.1582000000000001 # O2
  0.7827000000000000    0.9781999999999992    0.0234000000000000 # O3
  0.2122000000000000    0.0545999999999996   -0.0133999999999997 # O4
  0.3367999999999998    0.7340999999999999    0.3968999999999998 # O5
  0.3665000000000000    0.2699000000000001    0.4404999999999998 # O6
  0.1522999999999999    0.2708999999999996    0.1063999999999999 # O7
  0.1366000000000003   -0.1917999999999997    0.0812000000000002 # O8
  0.5928000000000000    0.8932000000000000    0.2696000000000002 # O9
  0.4182999999999999   -0.0305000000000001    0.2665000000000000 # O10
  0.4901999999999999    0.4093999999999998    0.3428999999999999 # O11
  0.5019000000000002    0.4088000000000003    0.1582000000000001 # O12
  0.2826999999999998    0.4781999999999994    0.0234000000000000 # O13
  0.7122000000000003    0.5545999999999995   -0.0133999999999997 # O14
  0.8367999999999999    0.2340999999999999    0.3968999999999998 # O15
  0.8664999999999998   -0.2301000000000000    0.4404999999999998 # O16
  0.6523000000000001    0.7708999999999996    0.1063999999999999 # O17
  0.6366000000000001    0.3082000000000004    0.0812000000000002 # O18
  0.0928000000000002    0.3931999999999999    0.2696000000000002 # O19
  0.9183000000000001    0.4694999999999999    0.2665000000000000 # O20
 -0.0098000000000001    0.0906000000000002   -0.1571000000000000 # O21
  1.0019000000000000    0.0911999999999997    0.6582000000000001 # O22
  0.7827000000000002    0.0217999999999997    0.5234000000000000 # O23
  0.2122000000000001    0.9453999999999996    0.4866000000000003 # O24
  0.3368000000000003    0.2658999999999992   -0.1030999999999997 # O25
  0.3664999999999999    0.7301000000000000   -0.0595000000000002 # O26
  0.1522999999999997    0.7290999999999996    0.6063999999999998 # O27
  0.1365999999999997    1.1917999999999995    0.5811999999999996 # O28
  0.5928000000000001    0.1068000000000001    0.7696000000000002 # O29
  0.4183000000000001    1.0304999999999991    0.7665000000000000 # O30
  0.4902000000000000    0.5905999999999993   -0.1571000000000000 # O31
  0.5019000000000000    0.5911999999999997    0.6582000000000001 # O32
  0.2827000000000000    0.5217999999999998    0.5234000000000000 # O33
  0.7121999999999997    0.4453999999999995    0.4866000000000003 # O34
  0.8368000000000004    0.7658999999999991   -0.1030999999999997 # O35
  0.8665000000000002    1.2301000000000000   -0.0595000000000002 # O36
  0.6522999999999999    0.2290999999999996    0.6063999999999998 # O37
  0.6365999999999999    0.6917999999999996    0.5811999999999996 # O38
  0.0928000000000000    0.6068000000000001    0.7696000000000002 # O39
  0.9182999999999999    0.5305000000000002    0.7665000000000000 # O40
  0.4960000000000002    0.4149999999999997    0.2430000000000002 # H1
  0.2280000000000001    0.2399999999999994    0.0000000000000000 # H2
  0.1500000000000002    0.4499999999999998    0.3750000000000002 # H3
  0.0299999999999999    0.3600000000000001    0.2700000000000001 # H4
  0.4300000000000000    0.1049999999999997    0.3119999999999999 # H5
  0.3460000000000000   -0.0249999999999996    0.1640000000000001 # H6
  0.9960000000000003    0.9149999999999997    0.2430000000000002 # H7
  0.7279999999999999    0.7399999999999994    0.0000000000000000 # H8
  0.6500000000000004    0.9500000000000000    0.3750000000000002 # H9
  0.5300000000000000    0.8600000000000000    0.2700000000000001 # H10
  0.9299999999999999    0.6049999999999998    0.3119999999999999 # H11
  0.8460000000000001    0.4750000000000004    0.1640000000000001 # H12
  0.4960000000000003    0.5849999999999995    0.7430000000000002 # H13
  0.2279999999999999    0.7599999999999997    0.5000000000000000 # H14
  0.1499999999999996    0.5500000000000003    0.8749999999999996 # H15
  0.0300000000000001    0.6400000000000000    0.7700000000000001 # H16
  0.4299999999999998    0.8949999999999994    0.8119999999999999 # H17
  0.3460000000000002    1.0249999999999997    0.6640000000000001 # H18
  0.9960000000000000    0.0850000000000004    0.7430000000000002 # H19
  0.7279999999999998    0.2599999999999997    0.5000000000000000 # H20
  0.6499999999999998    0.0500000000000002    0.8749999999999996 # H21
  0.5300000000000002    0.1400000000000000    0.7700000000000001 # H22
  0.9299999999999999    0.3950000000000004    0.8119999999999999 # H23
  0.8460000000000001    0.5249999999999997    0.6640000000000001 # H24
