$cell vectors
1.0
  8.9809957740643540    0.0000000000000000    0.0000000000000000
  0.0000000000000000    8.9809957740643540    0.0000000000000000
  0.0000000000000000    0.0000000000000000   12.6379940532930934
 12 46 98
Direct
  0.0000000000000000    0.0000000000000000    0.2010000000000002 # Ho1
  0.5000000000000003    0.5000000000000003    0.3040000000000000 # Ho2
  0.2219999999999998    0.2219999999999998    0.0000000000000000 # Ho3
  0.2990000000000003    0.2990000000000003    0.5000000000000003 # Ho4
  0.0000000000000000    0.0000000000000000    0.7990000000000000 # Ho5
  0.5000000000000003    0.5000000000000003    0.6960000000000002 # Ho6
  0.7780000000000001    0.7780000000000001    0.0000000000000000 # Ho7
  0.7010000000000003    0.7010000000000003    0.5000000000000003 # Ho8
  0.7780000000000001    0.2219999999999998    0.0000000000000000 # Ho9
  0.7010000000000003    0.2990000000000003    0.5000000000000003 # Ho10
  0.2219999999999998    0.7780000000000001    0.0000000000000000 # Ho11
  0.2990000000000003    0.7010000000000003    0.5000000000000003 # Ho12
  0.0000000000000000    0.0000000000000000    0.5000000000000003 # Mn1
  0.5000000000000003    0.5000000000000003    0.0000000000000000 # Mn2
  0.0000000000000000    0.5000000000000003    0.5000000000000003 # Mn3
  0.0000000000000000    0.5000000000000003    0.0000000000000000 # Mn4
  0.2460000000000001    0.2460000000000001    0.7620000000000003 # Mn5
  0.3290000000000003    0.0000000000000000    0.1610000000000001 # Mn6
  0.2559999999999999    0.0000000000000000    0.3990000000000001 # Mn7
  0.1300000000000000    0.5000000000000003    0.3120000000000003 # Mn8
  0.2660000000000003    0.5000000000000003    0.1500000000000003 # Mn9
  0.7539999999999999    0.7539999999999999    0.2380000000000000 # Mn10
  0.6710000000000003    0.0000000000000000    0.8390000000000002 # Mn11
  0.7440000000000000    0.0000000000000000    0.6010000000000002 # Mn12
  0.8700000000000000    0.5000000000000003    0.6880000000000004 # Mn13
  0.7340000000000002    0.5000000000000003    0.8500000000000004 # Mn14
  0.5000000000000003    0.0000000000000000    0.5000000000000003 # Mn15
  0.5000000000000003    0.0000000000000000    0.0000000000000000 # Mn16
  0.7539999999999999    0.2460000000000001    0.7620000000000003 # Mn17
  0.0000000000000000    0.3290000000000003    0.1610000000000001 # Mn18
  0.0000000000000000    0.2559999999999999    0.3990000000000001 # Mn19
  0.5000000000000003    0.1300000000000000    0.3120000000000003 # Mn20
  0.5000000000000003    0.2659999999999997    0.1500000000000003 # Mn21
  0.2460000000000001    0.7539999999999999    0.2380000000000000 # Mn22
  0.0000000000000000    0.6710000000000003    0.8390000000000002 # Mn23
  0.0000000000000000    0.7440000000000000    0.6010000000000002 # Mn24
  0.5000000000000003    0.8700000000000000    0.6880000000000004 # Mn25
  0.5000000000000003    0.7340000000000002    0.8500000000000004 # Mn26
  0.7539999999999999    0.7539999999999999    0.7620000000000003 # Mn27
  0.6710000000000003    0.0000000000000000    0.1610000000000001 # Mn28
  0.7440000000000000    0.0000000000000000    0.3990000000000001 # Mn29
  0.8700000000000000    0.5000000000000003    0.3120000000000003 # Mn30
  0.7340000000000002    0.5000000000000003    0.1499999999999999 # Mn31
  0.2460000000000001    0.2460000000000001    0.2380000000000000 # Mn32
  0.3290000000000003    0.0000000000000000    0.8390000000000002 # Mn33
  0.2559999999999999    0.0000000000000000    0.6010000000000002 # Mn34
  0.1300000000000000    0.5000000000000003    0.6880000000000004 # Mn35
  0.2660000000000003    0.5000000000000003    0.8500000000000004 # Mn36
  0.2460000000000001    0.7539999999999999    0.7620000000000003 # Mn37
  0.0000000000000000    0.6710000000000003    0.1610000000000001 # Mn38
  0.0000000000000000    0.7440000000000000    0.3990000000000001 # Mn39
  0.5000000000000003    0.8700000000000000    0.3120000000000003 # Mn40
  0.5000000000000003    0.7340000000000002    0.1499999999999999 # Mn41
  0.7539999999999999    0.2460000000000001    0.2380000000000000 # Mn42
  0.0000000000000000    0.3290000000000003    0.8390000000000002 # Mn43
  0.0000000000000000    0.2559999999999999    0.6010000000000002 # Mn44
  0.5000000000000003    0.1300000000000000    0.6880000000000004 # Mn45
  0.5000000000000003    0.2660000000000003    0.8500000000000004 # Mn46
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # H1
  0.5000000000000003    0.5000000000000003    0.5000000000000003 # H2
  0.1910000000000002    0.4489999999999999    0.0000000000000000 # H3
  0.1990000000000003    0.9949999999999997    0.5000000000000003 # H4
  0.1439999999999999    0.1439999999999999    0.3260000000000001 # H5
  0.3350000000000000    0.3350000000000000    0.0590000000000002 # H6
  0.1519999999999999    0.0000000000000000    0.0590000000000002 # H7
  0.2380000000000000    0.0000000000000000    0.1170000000000000 # H8
  0.2700000000000004    0.5000000000000003    0.3870000000000003 # H9
  0.1919999999999998    0.5000000000000003    0.4580000000000002 # H10
  0.1879999999999997    0.1340000000000000    0.1620000000000001 # H11
  0.2770000000000002    0.3800000000000001    0.3220000000000002 # H12
  0.8089999999999997    0.5510000000000000    0.0000000000000000 # H13
  0.8010000000000003    0.0050000000000002    0.5000000000000003 # H14
  0.8560000000000001    0.8560000000000001    0.6740000000000002 # H15
  0.6649999999999998    0.6649999999999998    0.9410000000000003 # H16
  0.8480000000000000    0.0000000000000000    0.9410000000000003 # H17
  0.7620000000000000    0.0000000000000000    0.8830000000000002 # H18
  0.7300000000000001    0.5000000000000003    0.6130000000000004 # H19
  0.8080000000000002    0.5000000000000003    0.5420000000000004 # H20
  0.8120000000000003    0.8659999999999999    0.8380000000000003 # H21
  0.7230000000000002    0.6199999999999998    0.6780000000000000 # H22
  0.5510000000000000    0.1910000000000002    0.0000000000000000 # H23
  0.0050000000000002    0.1990000000000003    0.5000000000000003 # H24
  0.8560000000000001    0.1439999999999999    0.3260000000000001 # H25
  0.6649999999999998    0.3350000000000000    0.0590000000000002 # H26
  0.0000000000000000    0.1519999999999999    0.0590000000000002 # H27
  0.0000000000000000    0.2380000000000000    0.1170000000000000 # H28
  0.5000000000000003    0.2700000000000004    0.3870000000000003 # H29
  0.5000000000000003    0.1919999999999998    0.4580000000000002 # H30
  0.8659999999999999    0.1879999999999997    0.1620000000000001 # H31
  0.6199999999999998    0.2770000000000002    0.3220000000000002 # H32
  0.4489999999999999    0.8089999999999997    0.0000000000000000 # H33
  0.9949999999999997    0.8010000000000003    0.5000000000000003 # H34
  0.1439999999999999    0.8560000000000001    0.6740000000000002 # H35
  0.3350000000000000    0.6649999999999998    0.9410000000000003 # H36
  0.0000000000000000    0.8480000000000000    0.9410000000000003 # H37
  0.0000000000000000    0.7620000000000000    0.8830000000000002 # H38
  0.5000000000000003    0.7300000000000001    0.6130000000000004 # H39
  0.5000000000000003    0.8080000000000002    0.5420000000000004 # H40
  0.1340000000000000    0.8120000000000003    0.8380000000000003 # H41
  0.3800000000000001    0.7230000000000002    0.6780000000000000 # H42
  0.8560000000000001    0.8560000000000001    0.3260000000000001 # H43
  0.6649999999999998    0.6649999999999998    0.0590000000000002 # H44
  0.8480000000000000    0.0000000000000000    0.0590000000000002 # H45
  0.7620000000000000    0.0000000000000000    0.1170000000000000 # H46
  0.7299999999999995    0.5000000000000003    0.3870000000000003 # H47
  0.8080000000000002    0.5000000000000003    0.4580000000000002 # H48
  0.8120000000000003    0.8659999999999999    0.1620000000000001 # H49
  0.7229999999999996    0.6199999999999998    0.3220000000000002 # H50
  0.1439999999999999    0.1439999999999999    0.6740000000000002 # H51
  0.3350000000000000    0.3350000000000000    0.9410000000000003 # H52
  0.1519999999999999    0.0000000000000000    0.9410000000000003 # H53
  0.2380000000000000    0.0000000000000000    0.8830000000000002 # H54
  0.2700000000000004    0.5000000000000003    0.6130000000000004 # H55
  0.1919999999999998    0.5000000000000003    0.5420000000000004 # H56
  0.1880000000000003    0.1340000000000000    0.8380000000000003 # H57
  0.2770000000000002    0.3800000000000001    0.6780000000000000 # H58
  0.1439999999999999    0.8560000000000001    0.3260000000000001 # H59
  0.3350000000000000    0.6649999999999998    0.0590000000000002 # H60
  0.0000000000000000    0.8480000000000000    0.0590000000000002 # H61
  0.0000000000000000    0.7620000000000000    0.1170000000000000 # H62
  0.5000000000000003    0.7300000000000001    0.3870000000000003 # H63
  0.5000000000000003    0.8080000000000002    0.4580000000000002 # H64
  0.1340000000000000    0.8120000000000003    0.1620000000000001 # H65
  0.3800000000000001    0.7230000000000002    0.3220000000000002 # H66
  0.8560000000000001    0.1439999999999999    0.6740000000000002 # H67
  0.6649999999999998    0.3350000000000000    0.9410000000000003 # H68
  0.0000000000000000    0.1519999999999999    0.9410000000000003 # H69
  0.0000000000000000    0.2380000000000000    0.8830000000000002 # H70
  0.5000000000000003    0.2700000000000004    0.6130000000000004 # H71
  0.5000000000000003    0.1919999999999998    0.5420000000000004 # H72
  0.8659999999999999    0.1880000000000003    0.8380000000000003 # H73
  0.6199999999999998    0.2770000000000002    0.6780000000000000 # H74
  0.1910000000000002    0.5510000000000000    0.0000000000000000 # H75
  0.1990000000000003    0.0050000000000002    0.5000000000000003 # H76
  0.1880000000000003    0.8659999999999999    0.8380000000000003 # H77
  0.2770000000000002    0.6199999999999998    0.6780000000000000 # H78
  0.8089999999999997    0.4489999999999999    0.0000000000000000 # H79
  0.8010000000000003    0.9949999999999997    0.5000000000000003 # H80
  0.8120000000000003    0.1340000000000000    0.1620000000000001 # H81
  0.7229999999999996    0.3800000000000001    0.3220000000000002 # H82
  0.8120000000000003    0.1340000000000000    0.8380000000000003 # H83
  0.7230000000000002    0.3800000000000001    0.6780000000000000 # H84
  0.1880000000000003    0.8659999999999999    0.1620000000000001 # H85
  0.2770000000000002    0.6199999999999998    0.3220000000000002 # H86
  0.4489999999999999    0.1910000000000002    0.0000000000000000 # H87
  0.9949999999999997    0.1990000000000003    0.5000000000000003 # H88
  0.1340000000000000    0.1880000000000003    0.8380000000000003 # H89
  0.3800000000000001    0.2770000000000002    0.6780000000000000 # H90
  0.5510000000000000    0.8089999999999997    0.0000000000000000 # H91
  0.0050000000000002    0.8010000000000003    0.5000000000000003 # H92
  0.8659999999999999    0.8120000000000003    0.1620000000000001 # H93
  0.6199999999999998    0.7230000000000002    0.3220000000000002 # H94
  0.8659999999999999    0.8120000000000003    0.8380000000000003 # H95
  0.6199999999999998    0.7230000000000002    0.6780000000000000 # H96
  0.1340000000000000    0.1879999999999997    0.1620000000000001 # H97
  0.3800000000000001    0.2770000000000002    0.3220000000000002 # H98
