$cell vectors
1.0
 10.1299952334118579    0.0000000000000000    0.0000000000000000
  0.0000000000000000   10.1299952334118579    0.0000000000000000
  0.0000000000000000    0.0000000000000000   10.1299952334118579
 32 16 112
Direct
  0.2609999999999999    0.2609999999999999    0.2609999999999999 # Ca1
  0.2609999999999999    0.7610000000000002    0.7610000000000002 # Ca2
  0.7610000000000002    0.2609999999999999    0.7610000000000002 # Ca3
  0.7610000000000002    0.7610000000000002    0.2609999999999999 # Ca4
  0.2390000000000003    0.2390000000000003    0.7390000000000001 # Ca5
  0.7390000000000001    0.5110000000000003    0.5110000000000003 # Ca6
  0.7390000000000007    1.0110000000000006    1.0110000000000001 # Ca7
  0.2390000000000003    0.5110000000000003    1.0110000000000001 # Ca8
  0.2390000000000003    1.0110000000000001    0.5110000000000003 # Ca9
  0.2609999999999999    0.4890000000000002    0.4890000000000002 # Ca10
  0.2609999999999999   -0.0110000000000000   -0.0110000000000000 # Ca11
  0.7610000000000002    0.4890000000000002   -0.0110000000000000 # Ca12
  0.7610000000000002   -0.0110000000000000    0.4890000000000002 # Ca13
  1.0110000000000001    1.0110000000000001    0.7390000000000001 # Ca14
  1.0110000000000001    0.5110000000000003    0.2389999999999998 # Ca15
  0.5110000000000003    1.0110000000000001    0.2389999999999998 # Ca16
  0.5110000000000003    0.5110000000000003    0.7390000000000001 # Ca17
  0.5110000000000003    0.7390000000000001    0.5110000000000003 # Ca18
  0.5110000000000003    0.2390000000000003    1.0110000000000001 # Ca19
  1.0110000000000001    0.7390000000000001    1.0110000000000001 # Ca20
  1.0110000000000001    0.2390000000000003    0.5110000000000003 # Ca21
  0.4890000000000002    0.2609999999999999    0.4890000000000002 # Ca22
  0.4890000000000002    0.7610000000000002   -0.0110000000000000 # Ca23
 -0.0110000000000000    0.2609999999999999   -0.0110000000000000 # Ca24
 -0.0110000000000000    0.7610000000000002    0.4890000000000002 # Ca25
  0.4890000000000002    0.4890000000000002    0.2609999999999999 # Ca26
  0.4890000000000002   -0.0110000000000000    0.7610000000000002 # Ca27
 -0.0110000000000000    0.4890000000000002    0.7610000000000002 # Ca28
 -0.0110000000000000   -0.0110000000000000    0.2609999999999999 # Ca29
  0.7390000000000007    0.7390000000000001    0.7390000000000001 # Ca30
  0.7390000000000001    0.2390000000000003    0.2389999999999998 # Ca31
  0.2390000000000003    0.7390000000000001    0.2389999999999998 # Ca32
  0.5000000000000003    0.5000000000000003    0.5000000000000003 # N1
  0.0000000000000000    0.0000000000000000    0.5000000000000003 # N2
  0.5000000000000003    0.7500000000000001    0.7500000000000001 # N3
  0.5000000000000003    0.2499999999999998    0.2499999999999998 # N4
  0.0000000000000000    0.7500000000000001    0.2499999999999998 # N5
  0.0000000000000000    0.2500000000000003    0.7500000000000001 # N6
  0.7500000000000001    0.5000000000000003    0.7500000000000001 # N7
  0.7500000000000001    0.0000000000000000    0.2499999999999998 # N8
  0.2499999999999998    0.5000000000000003    0.2499999999999998 # N9
  0.2499999999999998    0.0000000000000000    0.7500000000000001 # N10
  0.2499999999999998    0.2499999999999998    0.5000000000000003 # N11
  0.2499999999999998    0.7500000000000001    0.0000000000000000 # N12
  0.7500000000000001    0.2499999999999998    0.0000000000000000 # N13
  0.7500000000000001    0.7500000000000001    0.5000000000000003 # N14
  0.5000000000000003    0.0000000000000000    0.0000000000000000 # N15
  0.0000000000000000    0.5000000000000003    0.0000000000000000 # N16
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # H1
  0.0710000000000001    0.1789999999999998   -0.0930000000000001 # H2
  0.5000000000000003    0.0000000000000000    0.5000000000000003 # H3
  0.5000000000000003    0.5000000000000003    0.0000000000000000 # H4
  0.9289999999999999    0.3210000000000000    0.5929999999999997 # H5
  0.4290000000000002    0.8210000000000002    0.5929999999999997 # H6
  0.4290000000000002    0.3210000000000005    1.0930000000000002 # H7
  0.0000000000000000    0.2499999999999998    0.2499999999999998 # H8
  0.8210000000000002    0.3210000000000000    0.1570000000000003 # H9
  0.0000000000000000    0.7500000000000001    0.7500000000000001 # H10
  0.8210000000000002    0.8210000000000002    0.6570000000000000 # H11
  0.5000000000000003    0.2500000000000003    0.7500000000000001 # H12
  0.3210000000000000    0.3210000000000000    0.6570000000000000 # H13
  0.5000000000000003    0.7500000000000001    0.2499999999999998 # H14
  0.3210000000000000    0.8210000000000002    0.1570000000000003 # H15
  0.1790000000000003    0.6790000000000006    0.8430000000000002 # H16
  0.1790000000000003    0.1790000000000003    0.3430000000000000 # H17
  0.6789999999999999    0.6789999999999999    0.3430000000000000 # H18
  0.6790000000000006    0.1790000000000003    0.8430000000000002 # H19
  0.1789999999999998    0.0710000000000001   -0.0930000000000001 # H20
  0.1790000000000003    0.5710000000000004    0.4070000000000001 # H21
  0.6789999999999999    0.0710000000000001    0.4070000000000001 # H22
  0.6789999999999999    0.5710000000000004   -0.0930000000000001 # H23
  0.3210000000000005    0.4290000000000002    1.0930000000000002 # H24
  0.2499999999999998    0.0000000000000000    0.2499999999999998 # H25
  0.4290000000000002    0.9289999999999999    0.1570000000000003 # H26
  0.2500000000000003    0.5000000000000003    0.7500000000000001 # H27
  0.4290000000000002    0.4290000000000002    0.6570000000000000 # H28
  0.7500000000000001    0.0000000000000000    0.7500000000000001 # H29
  0.9289999999999999    0.9289999999999999    0.6570000000000000 # H30
  0.7500000000000001    0.5000000000000003    0.2499999999999998 # H31
  0.9289999999999999    0.4290000000000002    0.1570000000000003 # H32
  0.5710000000000004    0.0710000000000001    0.8430000000000002 # H33
  0.5710000000000004    0.5710000000000004    0.3430000000000000 # H34
  0.0710000000000001    0.0710000000000001    0.3430000000000000 # H35
  0.0710000000000001    0.5710000000000004    0.8430000000000002 # H36
  0.3210000000000005    1.0930000000000002    0.4290000000000002 # H37
  0.3210000000000000    0.5930000000000003    0.9289999999999999 # H38
  0.8210000000000002    1.0930000000000006    0.9289999999999999 # H39
  0.8210000000000002    0.5930000000000003    0.4290000000000002 # H40
  0.6789999999999999   -0.0930000000000001    0.5710000000000004 # H41
  0.6789999999999999    0.4070000000000001    0.0710000000000001 # H42
  0.1789999999999998   -0.0930000000000001    0.0710000000000001 # H43
  0.1790000000000003    0.4070000000000001    0.5710000000000004 # H44
  0.3210000000000000    0.1570000000000003    0.8210000000000002 # H45
  0.3210000000000000    0.6570000000000000    0.3210000000000000 # H46
  0.8210000000000002    0.1570000000000003    0.3210000000000000 # H47
  0.8210000000000002    0.6570000000000006    0.8210000000000002 # H48
  0.6790000000000006    0.8430000000000002    0.1789999999999998 # H49
  0.6789999999999999    0.3430000000000000    0.6789999999999999 # H50
  0.1790000000000003    0.8430000000000002    0.6789999999999999 # H51
  0.1790000000000003    0.3430000000000000    0.1789999999999998 # H52
  0.1570000000000003    0.4290000000000002    0.9289999999999999 # H53
  0.1570000000000003    0.9289999999999999    0.4290000000000002 # H54
  0.6570000000000000    0.4290000000000002    0.4290000000000002 # H55
  0.6570000000000006    0.9290000000000005    0.9289999999999999 # H56
  0.8430000000000002    0.5710000000000004    0.0710000000000001 # H57
  0.8430000000000002    0.0710000000000001    0.5710000000000004 # H58
  0.3430000000000000    0.5710000000000004    0.5710000000000004 # H59
  0.3430000000000000    0.0710000000000001    0.0710000000000001 # H60
  1.0930000000000002    0.4290000000000002    0.3210000000000000 # H61
  1.0930000000000002    0.9290000000000005    0.8210000000000002 # H62
  0.5930000000000003    0.4290000000000002    0.8210000000000002 # H63
  0.5930000000000003    0.9289999999999999    0.3210000000000000 # H64
 -0.0930000000000001    0.5710000000000004    0.6789999999999999 # H65
 -0.0930000000000001    0.0710000000000001    0.1789999999999998 # H66
  0.4070000000000001    0.5710000000000004    0.1789999999999998 # H67
  0.4070000000000001    0.0710000000000001    0.6789999999999999 # H68
  0.0710000000000001    0.3430000000000000    0.0710000000000001 # H69
  0.0710000000000001    0.8430000000000002    0.5710000000000004 # H70
  0.5710000000000004    0.3430000000000000    0.5710000000000004 # H71
  0.5710000000000004    0.8430000000000002    0.0710000000000001 # H72
  0.9289999999999999    0.6570000000000006    0.9289999999999999 # H73
  0.9289999999999999    0.1570000000000003    0.4290000000000002 # H74
  0.4290000000000002    0.6570000000000006    0.4290000000000002 # H75
  0.4290000000000002    0.1570000000000003    0.9289999999999999 # H76
 -0.0930000000000001    0.1789999999999998    0.0710000000000001 # H77
 -0.0930000000000001    0.6790000000000006    0.5710000000000004 # H78
  0.4070000000000001    0.1790000000000003    0.5710000000000004 # H79
  0.4070000000000001    0.6789999999999999    0.0710000000000001 # H80
  1.0930000000000002    0.8210000000000002    0.9289999999999999 # H81
  1.0930000000000002    0.3210000000000000    0.4290000000000002 # H82
  0.5930000000000003    0.8210000000000002    0.4290000000000002 # H83
  0.5930000000000003    0.3210000000000000    0.9289999999999999 # H84
  0.0710000000000001   -0.0930000000000001    0.1789999999999998 # H85
  0.0710000000000001    0.4070000000000001    0.6789999999999999 # H86
  0.5710000000000004   -0.0930000000000001    0.6789999999999999 # H87
  0.5710000000000004    0.4070000000000001    0.1789999999999998 # H88
  0.9289999999999999    1.0930000000000006    0.8210000000000002 # H89
  0.9289999999999999    0.5929999999999997    0.3210000000000000 # H90
  0.4290000000000002    1.0930000000000002    0.3210000000000000 # H91
  0.4290000000000002    0.5930000000000003    0.8210000000000002 # H92
  0.3430000000000000    0.1790000000000003    0.1789999999999998 # H93
  0.3430000000000000    0.6790000000000006    0.6789999999999999 # H94
  0.8430000000000002    0.1790000000000003    0.6789999999999999 # H95
  0.8430000000000002    0.6789999999999999    0.1789999999999998 # H96
  0.6570000000000006    0.8210000000000002    0.8210000000000002 # H97
  0.6570000000000000    0.3210000000000000    0.3210000000000000 # H98
  0.1570000000000003    0.8210000000000002    0.3210000000000000 # H99
  0.1570000000000003    0.3210000000000000    0.8210000000000002 # H100
  0.9289999999999999    0.8210000000000002    1.0930000000000002 # H101
  0.7500000000000001    0.7500000000000001    0.0000000000000000 # H102
  0.5710000000000004    0.6789999999999999   -0.0930000000000001 # H103
  0.7500000000000001    0.2499999999999998    0.5000000000000003 # H104
  0.5710000000000004    0.1790000000000003    0.4070000000000001 # H105
  0.2500000000000003    0.7500000000000001    0.5000000000000003 # H106
  0.0710000000000001    0.6790000000000006    0.4070000000000001 # H107
  0.2499999999999998    0.2499999999999998    0.0000000000000000 # H108
  0.8210000000000002    0.9290000000000005    1.0930000000000002 # H109
  0.0000000000000000    0.5000000000000003    0.5000000000000003 # H110
  0.8210000000000002    0.4290000000000002    0.5929999999999997 # H111
  0.3210000000000000    0.9289999999999999    0.5929999999999997 # H112
