P LATTICE,NONEQUIV.ATOMS 6 31 Pmn21 MODE OF CALC=RELA unit=bohr 15.181682 12.978639 12.446870 90.000000 90.000000 90.000000 ATOM -1: X=0.24540000 Y=0.31550000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.25460000 Y=0.68450000 Z=0.00000000 -1: X=0.75460000 Y=0.31550000 Z=0.50000000 -1: X=0.74540000 Y=0.68450000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 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=0.15290000 Z=0.01320000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.84710000 Z=0.51320000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 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=0.81520000 Z=0.50900000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.18480000 Z=0.00900000 Ge NPT= 781 R0=.000050000 RMT= 2.20 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=0.26290000 Y=0.32660000 Z=0.11290000 MULT= 4 ISPLIT= 8 -4: X=0.23710000 Y=0.67340000 Z=0.61290000 -4: X=0.73710000 Y=0.32660000 Z=0.11290000 -4: X=0.76290000 Y=0.67340000 Z=0.61290000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.81460000 Z=0.17840000 MULT= 2 ISPLIT= 8 -5: X=0.50000000 Y=0.18540000 Z=0.67840000 S NPT= 781 R0=.000100000 RMT= 1.89 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 -6: X=0.00000000 Y=0.11690000 Z=0.63670000 MULT= 2 ISPLIT= 8 -6: X=0.50000000 Y=0.88310000 Z=0.13670000 S NPT= 781 R0=.000100000 RMT= 1.89 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000