$cell vectors
1.0
 11.7889944527830615    0.0000000000000000    0.0000000000000000
  0.0000000000000000   11.7889944527830615    0.0000000000000000
  0.0000000000000000    0.0000000000000000   23.6349888787452400
 64 96
Direct
  0.7500000000000002    0.2499999999999999    0.1239999999999999 # As1
  0.2499999999999999    0.2499999999999999    0.1250999999999999 # As2
  0.9959999999999999    0.2499999999999999    0.5000000000000001 # As3
  0.9979999999999998    0.2499999999999999    0.0000000000000000 # As4
  0.2455000000000002    0.9990999999999995    0.2477000000000000 # As5
  0.9959999999999999    0.9989999999999999    0.1269000000000001 # As6
  0.2499999999999999    0.7500000000000002    0.8760000000000000 # As7
  0.7500000000000002    0.7500000000000002    0.8748999999999999 # As8
  0.0040000000000001    0.7500000000000008    0.5000000000000001 # As9
  0.0019999999999998    0.7500000000000002    0.0000000000000000 # As10
  0.7544999999999998    0.0008999999999999    0.7523000000000000 # As11
  0.0040000000000001    0.0010000000000001    0.8731000000000000 # As12
  0.2499999999999999    0.7500000000000002    0.6239999999999999 # As13
  0.2499999999999999    0.2499999999999999    0.6251000000000000 # As14
  0.2499999999999999    0.9959999999999999    0.0000000000000000 # As15
  0.2499999999999999    0.9979999999999998    0.5000000000000001 # As16
  0.5009000000000002    0.2455000000000002    0.7477000000000003 # As17
  0.5010000000000000    0.9959999999999999    0.6268999999999999 # As18
  0.7500000000000002    0.2499999999999999    0.3759999999999999 # As19
  0.7500000000000002    0.7500000000000002    0.3748999999999998 # As20
  0.7500000000000002    0.0040000000000001    0.0000000000000000 # As21
  0.7500000000000002    0.0020000000000003    0.5000000000000001 # As22
  0.4990999999999998    0.7544999999999998    0.2523000000000001 # As23
  0.4990000000000001    0.0040000000000001    0.3731000000000000 # As24
  0.5039999999999999    0.2499999999999999    0.5000000000000001 # As25
  0.5020000000000001    0.2499999999999999    0.0000000000000000 # As26
  0.2545000000000001    0.5008999999999997    0.2477000000000000 # As27
  0.5039999999999999    0.5010000000000000    0.1269000000000001 # As28
  0.4960000000000002    0.7500000000000002    0.5000000000000001 # As29
  0.4979999999999999    0.7500000000000002    0.0000000000000000 # As30
  0.7454999999999998    0.4991000000000004    0.7523000000000000 # As31
  0.4960000000000002    0.4990000000000001    0.8731000000000000 # As32
  0.2499999999999999    0.5039999999999999    0.0000000000000000 # As33
  0.2499999999999999    0.5020000000000001    0.5000000000000001 # As34
  0.9991000000000001    0.2545000000000001    0.7477000000000003 # As35
  0.9989999999999999    0.5039999999999999    0.6268999999999999 # As36
  0.7500000000000002    0.4960000000000002    0.0000000000000000 # As37
  0.7500000000000002    0.4979999999999999    0.5000000000000001 # As38
  0.0009000000000004    0.7454999999999998    0.2523000000000001 # As39
  0.0010000000000001    0.4960000000000002    0.3731000000000000 # As40
  0.7500000000000002    0.2500000000000003    0.8760000000000000 # As41
  0.2499999999999999    0.2500000000000003    0.8748999999999999 # As42
  0.2455000000000002    0.5009000000000002    0.7523000000000000 # As43
  0.9959999999999999    0.5010000000000003    0.8731000000000000 # As44
  0.2499999999999999    0.7500000000000002    0.1239999999999999 # As45
  0.7500000000000002    0.7500000000000002    0.1250999999999999 # As46
  0.7544999999999998    0.4990999999999998    0.2477000000000000 # As47
  0.0040000000000001    0.4989999999999997    0.1269000000000001 # As48
  0.2545000000000001    0.9991000000000001    0.7523000000000000 # As49
  0.5039999999999999    0.9990000000000003    0.8731000000000000 # As50
  0.7454999999999998    0.0008999999999999    0.2477000000000000 # As51
  0.4960000000000002    0.0010000000000001    0.1269000000000001 # As52
  0.2499999999999999    0.7500000000000002    0.3759999999999999 # As53
  0.2499999999999999    0.2499999999999999    0.3748999999999998 # As54
  0.9990999999999995    0.2455000000000002    0.2523000000000001 # As55
  0.9989999999999999    0.9959999999999999    0.3731000000000000 # As56
  0.7500000000000002    0.2499999999999999    0.6239999999999999 # As57
  0.7500000000000002    0.7500000000000002    0.6251000000000000 # As58
  0.0009000000000004    0.7544999999999998    0.7477000000000003 # As59
  0.0010000000000001    0.0040000000000001    0.6268999999999999 # As60
  0.5008999999999997    0.2545000000000001    0.2523000000000001 # As61
  0.5010000000000000    0.5039999999999999    0.3731000000000000 # As62
  0.4990999999999998    0.7454999999999998    0.7477000000000003 # As63
  0.4990000000000001    0.4960000000000002    0.6268999999999999 # As64
  0.1377000000000000    0.3606999999999998    0.0547000000000000 # Zn1
  0.1031000000000000    0.6286999999999999    0.0619000000000000 # Zn2
  0.3623999999999999    0.6093000000000001    0.0709000000000001 # Zn3
  0.1305000000000000    0.1133000000000000    0.1791999999999999 # Zn4
  0.1408999999999999    0.6401999999999997    0.1958999999999999 # Zn5
  0.3970000000000000    0.1287999999999999    0.1872999999999999 # Zn6
  0.8623000000000000    0.6393000000000002    0.9453000000000001 # Zn7
  0.8969000000000001    0.3713000000000001    0.9381000000000002 # Zn8
  0.6376000000000001    0.3907000000000004    0.9291000000000003 # Zn9
  0.8694999999999999    0.8866999999999999    0.8208000000000000 # Zn10
  0.8591000000000001    0.3598000000000003    0.8040999999999999 # Zn11
  0.6030000000000001    0.8712000000000003    0.8127000000000001 # Zn12
  0.1393000000000000    0.1377000000000000    0.5547000000000000 # Zn13
  0.8712999999999999    0.1031000000000000    0.5619000000000000 # Zn14
  0.8907000000000002    0.3624000000000004    0.5709000000000000 # Zn15
  0.3866999999999999    0.1305000000000000    0.6791999999999999 # Zn16
  0.8598000000000001    0.1408999999999999    0.6959000000000000 # Zn17
  0.3711999999999999    0.3970000000000000    0.6873000000000000 # Zn18
  0.8606999999999997    0.8623000000000000    0.4453000000000000 # Zn19
  0.1286999999999997    0.8969000000000001    0.4381000000000001 # Zn20
  0.1093000000000003    0.6376000000000001    0.4291000000000000 # Zn21
  0.6133000000000003    0.8694999999999999    0.3207999999999999 # Zn22
  0.1402000000000004    0.8591000000000001    0.3041000000000001 # Zn23
  0.6288000000000001    0.6030000000000001    0.3126999999999999 # Zn24
  0.3623000000000002    0.1393000000000000    0.0547000000000000 # Zn25
  0.3969000000000001    0.8712999999999999    0.0619000000000000 # Zn26
  0.1375999999999998    0.8907000000000002    0.0709000000000001 # Zn27
  0.3694999999999997    0.3867000000000003    0.1791999999999999 # Zn28
  0.3590999999999998    0.8597999999999997    0.1958999999999999 # Zn29
  0.1029999999999998    0.3711999999999999    0.1872999999999999 # Zn30
  0.6377000000000003    0.8607000000000000    0.9453000000000001 # Zn31
  0.6031000000000003    0.1287000000000001    0.9381000000000002 # Zn32
  0.8624000000000002    0.1093000000000003    0.9291000000000003 # Zn33
  0.6305000000000004    0.6132999999999997    0.8208000000000000 # Zn34
  0.6409000000000002    0.1402000000000004    0.8040999999999999 # Zn35
  0.8970000000000001    0.6288000000000001    0.8127000000000001 # Zn36
  0.3606999999999998    0.3623000000000002    0.5547000000000000 # Zn37
  0.6286999999999999    0.3969000000000001    0.5619000000000000 # Zn38
  0.6093000000000001    0.1376000000000003    0.5709000000000000 # Zn39
  0.1133000000000000    0.3695000000000002    0.6791999999999999 # Zn40
  0.6402000000000001    0.3591000000000003    0.6959000000000000 # Zn41
  0.1287999999999999    0.1029999999999998    0.6873000000000000 # Zn42
  0.6393000000000002    0.6376999999999998    0.4453000000000000 # Zn43
  0.3712999999999997    0.6030999999999997    0.4381000000000001 # Zn44
  0.3907000000000004    0.8624000000000002    0.4291000000000000 # Zn45
  0.8866999999999999    0.6305000000000004    0.3207999999999999 # Zn46
  0.3597999999999999    0.6409000000000002    0.3041000000000001 # Zn47
  0.8711999999999999    0.8970000000000001    0.3126999999999999 # Zn48
  0.1377000000000000    0.1393000000000000    0.9453000000000001 # Zn49
  0.1031000000000000    0.8712999999999999    0.9381000000000002 # Zn50
  0.3624000000000004    0.8907000000000002    0.9291000000000003 # Zn51
  0.1305000000000000    0.3867000000000003    0.8208000000000000 # Zn52
  0.1408999999999999    0.8598000000000001    0.8040999999999999 # Zn53
  0.3970000000000000    0.3711999999999999    0.8127000000000001 # Zn54
  0.8623000000000000    0.8607000000000000    0.0547000000000000 # Zn55
  0.8969000000000001    0.1287000000000001    0.0619000000000000 # Zn56
  0.6376000000000001    0.1092999999999999    0.0709000000000001 # Zn57
  0.8694999999999999    0.6133000000000003    0.1791999999999999 # Zn58
  0.8591000000000001    0.1401999999999999    0.1958999999999999 # Zn59
  0.6030000000000001    0.6288000000000001    0.1872999999999999 # Zn60
  0.3623000000000002    0.3607000000000002    0.9453000000000001 # Zn61
  0.3969000000000001    0.6287000000000004    0.9381000000000002 # Zn62
  0.1376000000000003    0.6093000000000001    0.9291000000000003 # Zn63
  0.3695000000000002    0.1133000000000005    0.8208000000000000 # Zn64
  0.3591000000000003    0.6401999999999997    0.8040999999999999 # Zn65
  0.1030000000000003    0.1287999999999999    0.8127000000000001 # Zn66
  0.6376999999999998    0.6392999999999998    0.0547000000000000 # Zn67
  0.6030999999999997    0.3713000000000001    0.0619000000000000 # Zn68
  0.8624000000000002    0.3907000000000000    0.0709000000000001 # Zn69
  0.6305000000000004    0.8866999999999999    0.1791999999999999 # Zn70
  0.6408999999999997    0.3597999999999999    0.1958999999999999 # Zn71
  0.8970000000000001    0.8711999999999999    0.1872999999999999 # Zn72
  0.3606999999999998    0.1377000000000000    0.4453000000000000 # Zn73
  0.6286999999999999    0.1031000000000000    0.4381000000000001 # Zn74
  0.6092999999999996    0.3623999999999999    0.4291000000000000 # Zn75
  0.1132999999999996    0.1305000000000000    0.3207999999999999 # Zn76
  0.6401999999999997    0.1408999999999999    0.3041000000000001 # Zn77
  0.1287999999999999    0.3970000000000000    0.3126999999999999 # Zn78
  0.6393000000000002    0.8623000000000000    0.5547000000000000 # Zn79
  0.3713000000000001    0.8969000000000001    0.5619000000000000 # Zn80
  0.3907000000000004    0.6376000000000001    0.5709000000000000 # Zn81
  0.8866999999999999    0.8694999999999999    0.6791999999999999 # Zn82
  0.3597999999999999    0.8591000000000001    0.6959000000000000 # Zn83
  0.8711999999999999    0.6030000000000001    0.6873000000000000 # Zn84
  0.1393000000000000    0.3623000000000002    0.4453000000000000 # Zn85
  0.8712999999999999    0.3969000000000001    0.4381000000000001 # Zn86
  0.8906999999999997    0.1375999999999998    0.4291000000000000 # Zn87
  0.3866999999999999    0.3695000000000002    0.3207999999999999 # Zn88
  0.8597999999999997    0.3591000000000003    0.3041000000000001 # Zn89
  0.3711999999999999    0.1030000000000003    0.3126999999999999 # Zn90
  0.8606999999999997    0.6376999999999998    0.5547000000000000 # Zn91
  0.1287000000000001    0.6031000000000003    0.5619000000000000 # Zn92
  0.1092999999999999    0.8624000000000002    0.5709000000000000 # Zn93
  0.6133000000000003    0.6305000000000004    0.6791999999999999 # Zn94
  0.1402000000000004    0.6409000000000002    0.6959000000000000 # Zn95
  0.6288000000000001    0.8970000000000001    0.6873000000000000 # Zn96
