$cell vectors
1.0
 11.1639947468716674    0.0000000000000000    0.0000000000000000
  0.0000000000000000   11.1639947468716674    0.0000000000000000
  0.0000000000000000    0.0000000000000000   10.6379949943766423
 8 12 16 28 48
Direct
  0.9138999999999998    0.0860000000000001    0.2148000000000002 # Cu1
  0.5851000000000000    0.4148000000000002    0.0551999999999998 # Cu2
  0.9140000000000000    0.9138999999999998    0.7147999999999999 # Cu3
  0.5851999999999999    0.5851000000000000    0.5551999999999999 # Cu4
  0.0861000000000001    0.9140000000000000    0.2148000000000002 # Cu5
  0.4149000000000002    0.5851999999999999    0.0551999999999998 # Cu6
  0.0860000000000001    0.0861000000000001    0.7147999999999999 # Cu7
  0.4147999999999996    0.4149000000000002    0.5551999999999999 # Cu8
  0.1225000000000000    0.1225000000000000    0.1574000000000001 # S1
  0.6244000000000000    0.6244000000000000    0.9979999999999996 # S2
  0.6947000000000002    0.3052000000000002    0.9119999999999997 # S3
  0.8775000000000001    0.1225000000000000    0.6573999999999998 # S4
  0.3756000000000000    0.6244000000000000    0.4979999999999999 # S5
  0.6948000000000002    0.6947000000000002    0.4120000000000001 # S6
  0.8775000000000001    0.8775000000000001    0.1574000000000001 # S7
  0.3756000000000000    0.3756000000000000    0.9979999999999996 # S8
  0.3052999999999998    0.6948000000000002    0.9119999999999997 # S9
  0.1225000000000000    0.8775000000000001    0.6573999999999998 # S10
  0.6244000000000000    0.3756000000000000    0.4979999999999999 # S11
  0.3051999999999998    0.3053000000000003    0.4120000000000001 # S12
  0.8907000000000003    0.1093000000000003    0.3934000000000000 # N1
  0.6088000000000002    0.3911999999999998    0.2347000000000000 # N2
  0.8233999999999996    0.1765999999999998    0.0901999999999998 # N3
  1.0000000000000000    0.5000000000000000    0.2422000000000001 # N4
  0.8907000000000003    0.8907000000000003    0.8933999999999996 # N5
  0.6088000000000002    0.6088000000000002    0.7346999999999998 # N6
  0.8233999999999996    0.8233999999999996    0.5901999999999999 # N7
  0.5000000000000000    1.0000000000000000    0.7421999999999997 # N8
  0.1092999999999998    0.8907000000000003    0.3934000000000000 # N9
  0.3911999999999998    0.6088000000000002    0.2347000000000000 # N10
  0.1766000000000003    0.8233999999999996    0.0901999999999998 # N11
  0.1092999999999998    0.1093000000000003    0.8933999999999996 # N12
  0.3911999999999998    0.3911999999999998    0.7346999999999998 # N13
  0.1765999999999998    0.1766000000000003    0.5901999999999999 # N14
  0.0000000000000000    0.5000000000000000    0.7421999999999997 # N15
  0.5000000000000000    0.0000000000000000    0.2422000000000001 # N16
  0.1132999999999998    0.1132999999999998    0.0014999999999998 # C1
  0.6142000000000000    0.6142000000000000    0.8419999999999997 # C2
  0.7715000000000002    0.2285000000000000    0.0164999999999999 # C3
  1.0434000000000001    0.6011999999999998    0.3208999999999999 # C4
  1.1005000000000003    0.4577000000000002    0.1612000000000001 # C5
  0.8867000000000002    0.1132999999999998    0.5015000000000001 # C6
  0.3858000000000000    0.6142000000000000    0.3419999999999996 # C7
  0.7715000000000002    0.7715000000000002    0.5165000000000001 # C8
  0.3988000000000002    1.0434000000000005    0.8208999999999995 # C9
  0.5422999999999998    1.1005000000000003    0.6611999999999998 # C10
  0.8867000000000002    0.8867000000000002    0.0014999999999998 # C11
  0.3858000000000000    0.3858000000000000    0.8419999999999997 # C12
  0.2285000000000000    0.7715000000000002    0.0164999999999999 # C13
  0.9565999999999999    0.3988000000000002    0.3208999999999999 # C14
  0.8994999999999999    0.5422999999999998    0.1612000000000001 # C15
  0.1133000000000002    0.8867000000000002    0.5015000000000001 # C16
  0.6142000000000000    0.3858000000000000    0.3419999999999996 # C17
  0.2285000000000000    0.2285000000000000    0.5165000000000001 # C18
  0.6012000000000003    0.9565999999999999    0.8208999999999995 # C19
  0.4577000000000002    0.8994999999999999    0.6611999999999998 # C20
 -0.0434000000000001    0.6011999999999998    0.8208999999999995 # C21
 -0.1005000000000001    0.4577000000000002    0.6611999999999998 # C22
  0.0434000000000001    0.3988000000000002    0.8208999999999995 # C23
  0.1005000000000001    0.5422999999999998    0.6611999999999998 # C24
  0.3988000000000002   -0.0434000000000001    0.3208999999999999 # C25
  0.5422999999999998   -0.1005000000000001    0.1612000000000001 # C26
  0.6011999999999998    0.0434000000000001    0.3208999999999999 # C27
  0.4577000000000002    0.1005000000000001    0.1612000000000001 # C28
  1.1097999999999999    0.5764000000000001    0.3705000000000000 # H1
  1.0671000000000002    0.6654000000000001    0.2675999999999998 # H2
  0.9805000000000001    0.6272000000000002    0.3744999999999999 # H3
  1.0765000000000002    0.3916999999999999    0.1106000000000002 # H4
  1.1234999999999997    0.5225000000000000    0.1084999999999999 # H5
  1.1665000000000003    0.4348000000000000    0.2124999999999999 # H6
  0.4236000000000003    1.1097999999999999    0.8704999999999996 # H7
  0.3346000000000000    1.0671000000000002    0.7675999999999999 # H8
  0.3728000000000003    0.9805000000000001    0.8744999999999995 # H9
  0.6083000000000001    1.0765000000000002    0.6105999999999998 # H10
  0.4775000000000000    1.1234999999999997    0.6084999999999996 # H11
  0.5651999999999999    1.1665000000000003    0.7124999999999996 # H12
  0.8902000000000002    0.4235999999999998    0.3705000000000000 # H13
  0.9329000000000003    0.3346000000000000    0.2675999999999998 # H14
  1.0194999999999996    0.3727999999999999    0.3744999999999999 # H15
  0.9234999999999999    0.6083000000000001    0.1106000000000002 # H16
  0.8764999999999997    0.4775000000000000    0.1084999999999999 # H17
  0.8334999999999997    0.5651999999999999    0.2124999999999999 # H18
  0.5764000000000001    0.8902000000000002    0.8704999999999996 # H19
  0.6654000000000001    0.9329000000000006    0.7675999999999999 # H20
  0.6272000000000002    1.0194999999999996    0.8744999999999995 # H21
  0.3916999999999999    0.9234999999999999    0.6105999999999998 # H22
  0.5225000000000000    0.8764999999999997    0.6084999999999996 # H23
  0.4348000000000000    0.8334999999999997    0.7124999999999996 # H24
 -0.1097999999999999    0.5764000000000001    0.8704999999999996 # H25
 -0.0671000000000000    0.6654000000000001    0.7675999999999999 # H26
  0.0195000000000003    0.6272000000000002    0.8744999999999995 # H27
 -0.0764999999999997    0.3916999999999999    0.6105999999999998 # H28
 -0.1234999999999998    0.5225000000000000    0.6084999999999996 # H29
 -0.1665000000000003    0.4348000000000000    0.7124999999999996 # H30
  0.1097999999999999    0.4236000000000003    0.8704999999999996 # H31
  0.0671000000000000    0.3346000000000000    0.7675999999999999 # H32
 -0.0194999999999998    0.3727999999999999    0.8744999999999995 # H33
  0.0765000000000002    0.6083000000000001    0.6105999999999998 # H34
  0.1235000000000002    0.4775000000000000    0.6084999999999996 # H35
  0.1665000000000003    0.5651999999999999    0.7124999999999996 # H36
  0.4235999999999998   -0.1097999999999999    0.3705000000000000 # H37
  0.3346000000000000   -0.0671000000000000    0.2675999999999998 # H38
  0.3727999999999999    0.0194999999999998    0.3744999999999999 # H39
  0.6083000000000001   -0.0765000000000002    0.1106000000000002 # H40
  0.4775000000000000   -0.1234999999999998    0.1084999999999999 # H41
  0.5651999999999999   -0.1665000000000003    0.2124999999999999 # H42
  0.5764000000000001    0.1097999999999999    0.3705000000000000 # H43
  0.6654000000000001    0.0671000000000000    0.2675999999999998 # H44
  0.6272000000000002   -0.0194999999999998    0.3744999999999999 # H45
  0.3916999999999999    0.0765000000000002    0.1106000000000002 # H46
  0.5225000000000000    0.1235000000000002    0.1084999999999999 # H47
  0.4348000000000000    0.1665000000000003    0.2124999999999999 # H48
