$cell vectors 1.0 5.8150972637525484 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.8150972637525484 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.8013972701989722 1 2 4 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Cd1 0.5000000000000000 0.0000000000000000 0.4999999999999995 # In1 0.0000000000000000 0.5000000000000000 0.4999999999999995 # In2 0.2706999999999999 0.2706999999999999 0.2300000000000003 # Se1 0.2706999999999999 0.7293000000000002 0.7699999999999997 # Se2 0.7293000000000002 0.7293000000000002 0.2300000000000003 # Se3 0.7293000000000002 0.2706999999999999 0.7699999999999997 # Se4