CXZ LATTICE,NONEQUIV.ATOMS 12 12 B2/m MODE OF CALC=RELA unit=bohr 16.247865 34.918360 19.492525 90.000000 90.000000 76.770000 ATOM -1: X=0.65342000 Y=0.21043000 Z=0.22410000 MULT= 4 ISPLIT= 8 -1: X=0.34658000 Y=0.78957000 Z=0.77590000 -1: X=0.34658000 Y=0.78957000 Z=0.22410000 -1: X=0.65342000 Y=0.21043000 Z=0.77590000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.50000000 Z=0.29004000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.50000000 Z=0.70996000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.24936000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.75064000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.76129000 Y=0.64456000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.23871000 Y=0.35544000 Z=0.00000000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.41360000 Y=0.15381000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.58640000 Y=0.84619000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.93850000 Y=0.13147000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.06150000 Y=0.86853000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.70370000 Y=0.06713000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.29630000 Y=0.93287000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.82010000 Y=0.45367000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.17990000 Y=0.54633000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.85208000 Y=0.35769000 Z=0.18692000 MULT= 4 ISPLIT= 8 -9: X=0.14792000 Y=0.64231000 Z=0.81308000 -9: X=0.14792000 Y=0.64231000 Z=0.18692000 -9: X=0.85208000 Y=0.35769000 Z=0.81308000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.63650000 Y=0.35599000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.36350000 Y=0.64401000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.22470000 Y=0.07100000 Z=0.00000000 MULT= 2 ISPLIT= 8 -11: X=0.77530000 Y=0.92900000 Z=0.00000000 Al NPT= 781 R0=.000100000 RMT= 2.19 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.92580000 Y=0.26640000 Z=0.00000000 MULT= 2 ISPLIT= 8 -12: X=0.07420000 Y=0.73360000 Z=0.00000000 Al NPT= 781 R0=.000100000 RMT= 2.19 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000