P LATTICE,NONEQUIV.ATOMS 7 26 Pmc21 MODE OF CALC=RELA unit=bohr 6.855171 15.886928 19.524650 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.37000000 Z=0.00120000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.63000000 Z=0.50120000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.50000000 Y=0.18517000 Z=0.41319000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.81483000 Z=0.91319000 Ge NPT= 781 R0=.000050000 RMT= 2.39 Z: 32.00000 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=0.70575000 Z=0.22415000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.29425000 Z=0.72415000 Ge NPT= 781 R0=.000050000 RMT= 2.39 Z: 32.00000 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=0.00306000 Z=0.14629000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.99694000 Z=0.64629000 Ge NPT= 781 R0=.000050000 RMT= 2.39 Z: 32.00000 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=0.23460000 Z=0.27700000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.76540000 Z=0.77700000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 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=0.06770000 Z=0.00640000 MULT= 2 ISPLIT= 8 -6: X=0.50000000 Y=0.93230000 Z=0.50640000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 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=0.62880000 Z=0.07820000 MULT= 2 ISPLIT= 8 -7: X=0.50000000 Y=0.37120000 Z=0.57820000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000