$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