P LATTICE,NONEQUIV.ATOMS 7 55 Pbam MODE OF CALC=RELA unit=bohr 22.980960 26.157589 7.781892 90.000000 90.000000 90.000000 ATOM -1: X=0.11890000 Y=0.24000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.88110000 Y=0.76000000 Z=0.00000000 -1: X=0.38110000 Y=0.74000000 Z=0.00000000 -1: X=0.61890000 Y=0.26000000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 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=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.37340000 Y=0.07030000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.62660000 Y=0.92970000 Z=0.00000000 -3: X=0.12660000 Y=0.57030000 Z=0.00000000 -3: X=0.87340000 Y=0.42970000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28420000 Y=0.39650000 Z=0.50000000 MULT= 4 ISPLIT= 8 -4: X=0.71580000 Y=0.60350000 Z=0.50000000 -4: X=0.21580000 Y=0.89650000 Z=0.50000000 -4: X=0.78420000 Y=0.10350000 Z=0.50000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.17070000 Y=0.07520000 Z=0.50000000 MULT= 4 ISPLIT= 8 -5: X=0.82930000 Y=0.92480000 Z=0.50000000 -5: X=0.32930000 Y=0.57520000 Z=0.50000000 -5: X=0.67070000 Y=0.42480000 Z=0.50000000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.07940000 Y=0.39390000 Z=0.50000000 MULT= 4 ISPLIT= 8 -6: X=0.92060000 Y=0.60610000 Z=0.50000000 -6: X=0.42060000 Y=0.89390000 Z=0.50000000 -6: X=0.57940000 Y=0.10610000 Z=0.50000000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.36420000 Y=0.30690000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.63580000 Y=0.69310000 Z=0.00000000 -7: X=0.13580000 Y=0.80690000 Z=0.00000000 -7: X=0.86420000 Y=0.19310000 Z=0.00000000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000