P LATTICE,NONEQUIV.ATOMS 20 26 Pmc21 MODE OF CALC=RELA unit=bohr 7.373900 37.984062 21.763787 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.58920000 Z=0.45670000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.41080000 Z=0.95670000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 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=0.10610000 Z=0.63050000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.89390000 Z=0.13050000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 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=0.62180000 Z=0.07390000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.37820000 Z=0.57390000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 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=0.25890000 Z=0.21210000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.74110000 Z=0.71210000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 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=0.08690000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.91310000 Z=0.50000000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.50000000 Y=0.74990000 Z=0.30600000 MULT= 2 ISPLIT= 8 -6: X=0.50000000 Y=0.25010000 Z=0.80600000 Sn NPT= 781 R0=.000010000 RMT= 2.37 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.50000000 Y=0.08680000 Z=0.32140000 MULT= 2 ISPLIT= 8 -7: X=0.50000000 Y=0.91320000 Z=0.82140000 Sn NPT= 781 R0=.000010000 RMT= 2.37 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.50000000 Y=0.42580000 Z=0.29270000 MULT= 2 ISPLIT= 8 -8: X=0.50000000 Y=0.57420000 Z=0.79270000 Sn NPT= 781 R0=.000010000 RMT= 2.37 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.01500000 Z=0.25100000 MULT= 2 ISPLIT= 8 -9: X=0.00000000 Y=0.98500000 Z=0.75100000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -10: X=0.00000000 Y=0.16600000 Z=0.40200000 MULT= 2 ISPLIT= 8 -10: X=0.00000000 Y=0.83400000 Z=0.90200000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -11: X=0.00000000 Y=0.23800000 Z=0.64300000 MULT= 2 ISPLIT= 8 -11: X=0.00000000 Y=0.76200000 Z=0.14300000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -12: X=0.00000000 Y=0.74300000 Z=0.45900000 MULT= 2 ISPLIT= 8 -12: X=0.00000000 Y=0.25700000 Z=0.95900000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -13: X=0.00000000 Y=0.48000000 Z=0.24700000 MULT= 2 ISPLIT= 8 -13: X=0.00000000 Y=0.52000000 Z=0.74700000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -14: X=0.50000000 Y=0.02400000 Z=0.52400000 MULT= 2 ISPLIT= 8 -14: X=0.50000000 Y=0.97600000 Z=0.02400000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -15: X=0.50000000 Y=0.11900000 Z=0.80200000 MULT= 2 ISPLIT= 8 -15: X=0.50000000 Y=0.88100000 Z=0.30200000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -16: X=0.50000000 Y=0.16000000 Z=0.13800000 MULT= 2 ISPLIT= 8 -16: X=0.50000000 Y=0.84000000 Z=0.63800000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -17: X=0.50000000 Y=0.31800000 Z=0.40200000 MULT= 2 ISPLIT= 8 -17: X=0.50000000 Y=0.68200000 Z=0.90200000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -18: X=0.50000000 Y=0.35400000 Z=0.10900000 MULT= 2 ISPLIT= 8 -18: X=0.50000000 Y=0.64600000 Z=0.60900000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -19: X=0.50000000 Y=0.62300000 Z=0.30000000 MULT= 2 ISPLIT= 8 -19: X=0.50000000 Y=0.37700000 Z=0.80000000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -20: X=0.50000000 Y=0.49300000 Z=0.49900000 MULT= 2 ISPLIT= 8 -20: X=0.50000000 Y=0.50700000 Z=0.99900000 S NPT= 781 R0=.000100000 RMT= 1.94 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000