CXY LATTICE,NONEQUIV.ATOMS 6 36 Cmc21 MODE OF CALC=RELA unit=bohr 7.439852 27.378352 10.654276 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.34183000 Z=0.04618000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.65817000 Z=0.54618000 Sr NPT= 781 R0=.000010000 RMT= 2.25 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.08350000 Z=0.09480000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.91650000 Z=0.59480000 Mg NPT= 781 R0=.000100000 RMT= 1.76 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.16020000 Z=0.81300000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.83980000 Z=0.31300000 F NPT= 781 R0=.000100000 RMT= 1.85 Z: 9.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.03270000 Z=0.42910000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.96730000 Z=0.92910000 F NPT= 781 R0=.000100000 RMT= 1.85 Z: 9.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.20010000 Z=0.28690000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.79990000 Z=0.78690000 F NPT= 781 R0=.000100000 RMT= 1.85 Z: 9.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.58430000 Z=0.11300000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.41570000 Z=0.61300000 F NPT= 781 R0=.000100000 RMT= 1.85 Z: 9.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000