P LATTICE,NONEQUIV.ATOMS 6 31 Pmn21 MODE OF CALC=RELA unit=bohr 15.393709 13.037032 12.459342 90.000000 90.000000 90.000000 ATOM -1: X=0.25190000 Y=0.17720000 Z=0.48920000 MULT= 4 ISPLIT= 8 -1: X=0.24810000 Y=0.82280000 Z=0.98920000 -1: X=0.74810000 Y=0.17720000 Z=0.48920000 -1: X=0.75190000 Y=0.82280000 Z=0.98920000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 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=0.65430000 Z=0.49070000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.34570000 Z=0.99070000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 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=0.31700000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.68300000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.29 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.24220000 Y=0.16640000 Z=0.09640000 MULT= 4 ISPLIT= 8 -4: X=0.25780000 Y=0.83360000 Z=0.59640000 -4: X=0.75780000 Y=0.16640000 Z=0.09640000 -4: X=0.74220000 Y=0.83360000 Z=0.59640000 S NPT= 781 R0=.000100000 RMT= 1.97 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=0.33610000 Z=0.65310000 MULT= 2 ISPLIT= 8 -5: X=0.50000000 Y=0.66390000 Z=0.15310000 S NPT= 781 R0=.000100000 RMT= 1.97 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=0.63240000 Z=0.09800000 MULT= 2 ISPLIT= 8 -6: X=0.50000000 Y=0.36760000 Z=0.59800000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000