$cell vectors 1.0 5.2799975155394518 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.2799975155394518 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.2049975508300834 2 2 4 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Cu1 0.5000000000000000 0.5000000000000000 0.0000000000000000 # Cu2 0.5000000000000000 0.0000000000000000 0.5000000000000000 # Fe1 0.0000000000000000 0.5000000000000000 0.5000000000000000 # Fe2 0.2500000000000000 0.2500000000000000 0.1900000000000004 # S1 0.2500000000000000 0.7500000000000000 0.8099999999999998 # S2 0.7500000000000000 0.7500000000000000 0.1900000000000004 # S3 0.7500000000000000 0.2500000000000000 0.8099999999999998 # S4