P LATTICE,NONEQUIV.ATOMS 3 125 P4/nbm MODE OF CALC=RELA unit=bohr 11.529219 11.529219 14.543332 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.17400000 MULT= 4 ISPLIT=15 -1: X=0.75000000 Y=0.75000000 Z=0.82600000 -1: X=0.75000000 Y=0.75000000 Z=0.17400000 -1: X=0.25000000 Y=0.25000000 Z=0.82600000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.45300000 Y=0.54700000 Z=0.35000000 MULT= 8 ISPLIT=15 -2: X=0.54700000 Y=0.45300000 Z=0.65000000 -2: X=0.95300000 Y=0.45300000 Z=0.35000000 -2: X=0.04700000 Y=0.54700000 Z=0.65000000 -2: X=0.54700000 Y=0.04700000 Z=0.35000000 -2: X=0.45300000 Y=0.95300000 Z=0.65000000 -2: X=0.04700000 Y=0.95300000 Z=0.35000000 -2: X=0.95300000 Y=0.04700000 Z=0.65000000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.75000000 Y=0.25000000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.25000000 Y=0.75000000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000