$cell vectors 1.0 3.8589981841793080 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.8589981841793080 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.7099944899558590 2 1 3 8 Direct 0.4999999999999993 0.4999999999999993 0.1900000000000002 # Ba1 0.4999999999999993 0.4999999999999993 0.8100000000000004 # Ba2 0.4999999999999993 0.4999999999999993 0.5000000000000003 # Y1 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Cu1 0.0000000000000000 0.0000000000000000 0.3600000000000000 # Cu2 0.0000000000000000 0.0000000000000000 0.6399999999999999 # Cu3 0.4999999999999993 0.0000000000000000 0.0300000000000002 # O1 0.4999999999999993 0.0000000000000000 0.3799999999999998 # O2 0.4999999999999993 0.0000000000000000 0.6100000000000002 # O3 0.0000000000000000 0.0000000000000000 0.1500000000000001 # O4 0.0000000000000000 0.5000000000000007 0.9700000000000002 # O5 0.0000000000000000 0.4999999999999993 0.6200000000000001 # O6 0.0000000000000000 0.4999999999999993 0.3900000000000003 # O7 0.0000000000000000 0.0000000000000000 0.8500000000000001 # O8