P LATTICE,NONEQUIV.ATOMS 8 11 P21/m MODE OF CALC=RELA unit=bohr 15.131037 12.349360 19.821337 90.000000 90.000000 93.240000 ATOM -1: X=0.25360000 Y=0.13610000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.74640000 Y=0.86390000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.24 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=0.53640000 Y=0.03070000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.46360000 Y=0.96930000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.24 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=0.04350000 Y=0.86310000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.95650000 Y=0.13690000 Z=0.75000000 Br NPT= 781 R0=.000050000 RMT= 2.24 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.17990000 Y=0.33790000 Z=0.07150000 MULT= 4 ISPLIT= 8 -4: X=0.82010000 Y=0.66210000 Z=0.92850000 -4: X=0.82010000 Y=0.66210000 Z=0.57150000 -4: X=0.17990000 Y=0.33790000 Z=0.42850000 Br NPT= 781 R0=.000050000 RMT= 2.24 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.57000000 Y=0.67070000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.43000000 Y=0.32930000 Z=0.75000000 Br NPT= 781 R0=.000050000 RMT= 2.24 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.68830000 Y=0.17260000 Z=0.07020000 MULT= 4 ISPLIT= 8 -6: X=0.31170000 Y=0.82740000 Z=0.92980000 -6: X=0.31170000 Y=0.82740000 Z=0.57020000 -6: X=0.68830000 Y=0.17260000 Z=0.42980000 Br NPT= 781 R0=.000050000 RMT= 2.24 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.50000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.50000000 Y=0.50000000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 2.14 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.00000000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 2.14 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000