$cell vectors 1.0 9.6989954362153643 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.6029954813873726 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.4619964888173005 16 8 16 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Cu1 0.0000000000000000 0.5000000000000000 0.5000000000000000 # Cu2 0.5000000000000000 0.0000000000000000 0.5000000000000000 # Cu3 0.5000000000000000 0.5000000000000000 0.0000000000000000 # Cu4 0.2499999999999997 0.2499999999999999 0.0000000000000000 # Cu5 0.2500000000000003 0.7500000000000000 0.5000000000000000 # Cu6 0.7499999999999998 0.2499999999999999 0.5000000000000000 # Cu7 0.7499999999999998 0.7500000000000000 0.0000000000000000 # Cu8 0.0000000000000000 0.2499999999999999 0.2500000000000000 # Cu9 0.0000000000000000 0.7500000000000000 0.7500000000000001 # Cu10 0.5000000000000000 0.2499999999999999 0.7500000000000001 # Cu11 0.5000000000000000 0.7500000000000000 0.2500000000000000 # Cu12 0.2499999999999997 0.0000000000000000 0.2500000000000000 # Cu13 0.2500000000000003 0.5000000000000000 0.7500000000000001 # Cu14 0.7499999999999998 0.0000000000000000 0.7500000000000001 # Cu15 0.7499999999999998 0.5000000000000000 0.2500000000000000 # Cu16 0.1249999999999998 0.1250000000000002 0.1250000000000000 # O1 0.1249999999999998 0.6250000000000002 0.6250000000000001 # O2 0.6249999999999998 0.1250000000000002 0.6250000000000001 # O3 0.6249999999999998 0.6250000000000002 0.1250000000000000 # O4 0.8749999999999993 0.8750000000000002 0.8750000000000001 # O5 0.8749999999999993 0.3750000000000003 0.3750000000000001 # O6 0.3750000000000001 0.8750000000000002 0.3750000000000001 # O7 0.3750000000000001 0.3750000000000003 0.8750000000000001 # O8 0.8239999999999997 0.1250000000000002 0.1250000000000000 # Cl1 0.8239999999999997 0.6250000000000002 0.6250000000000001 # Cl2 0.3240000000000000 0.1250000000000002 0.6250000000000001 # Cl3 0.3240000000000000 0.6250000000000002 0.1250000000000000 # Cl4 0.1760000000000001 0.8750000000000002 0.8750000000000001 # Cl5 0.1760000000000001 0.3750000000000003 0.3750000000000001 # Cl6 0.6760000000000000 0.8750000000000002 0.3750000000000001 # Cl7 0.6760000000000000 0.3750000000000003 0.8750000000000001 # Cl8 0.4259999999999998 0.1250000000000002 0.1250000000000000 # Cl9 0.4259999999999998 0.6250000000000002 0.6250000000000001 # Cl10 0.9259999999999997 0.1250000000000002 0.6250000000000001 # Cl11 0.9259999999999997 0.6250000000000002 0.1250000000000000 # Cl12 0.5740000000000001 0.8750000000000002 0.8750000000000001 # Cl13 0.5739999999999996 0.3750000000000003 0.3750000000000001 # Cl14 0.0739999999999996 0.8750000000000002 0.3750000000000001 # Cl15 0.0739999999999996 0.3750000000000003 0.8750000000000001 # Cl16