CXZ LATTICE,NONEQUIV.ATOMS 12 12 B2/m MODE OF CALC=RELA unit=bohr 37.310753 28.045426 8.983758 90.000000 90.000000 67.530000 ATOM -1: X=0.77880000 Y=0.41840000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.22120000 Y=0.58160000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 Z: 12.00000 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=0.50000000 MULT= 1 ISPLIT= 8 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=0.98268000 Y=0.32150000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.01732000 Y=0.67850000 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=0.85350000 Y=0.59700000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.14650000 Y=0.40300000 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 -5: X=0.20668000 Y=0.12030000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.79332000 Y=0.87970000 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 -6: X=0.35623000 Y=0.21920000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.64377000 Y=0.78080000 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 -7: X=0.57043000 Y=0.06140000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.42957000 Y=0.93860000 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 -8: X=0.95430000 Y=0.08430000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.04570000 Y=0.91570000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.30 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.83110000 Y=0.08040000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.16890000 Y=0.91960000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.30 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.73980000 Y=0.24790000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.26020000 Y=0.75210000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.30 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.61310000 Y=0.25880000 Z=0.00000000 MULT= 2 ISPLIT= 8 -11: X=0.38690000 Y=0.74120000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.30 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.64220000 Y=0.57080000 Z=0.00000000 MULT= 2 ISPLIT= 8 -12: X=0.35780000 Y=0.42920000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.30 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000