P LATTICE,NONEQUIV.ATOMS 5 14 P21/n MODE OF CALC=RELA unit=bohr 15.491975 16.070231 12.232197 90.000000 90.000000 95.970000 ATOM -1: X=0.00149000 Y=0.73255000 Z=0.38930000 MULT= 4 ISPLIT= 8 -1: X=0.99851000 Y=0.26745000 Z=0.61070000 -1: X=0.49851000 Y=0.76745000 Z=0.88930000 -1: X=0.50149000 Y=0.23255000 Z=0.11070000 Ba NPT= 781 R0=.000010000 RMT= 1.95 Z: 56.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.32799000 Y=0.35053000 Z=0.33017000 MULT= 4 ISPLIT= 8 -2: X=0.67201000 Y=0.64947000 Z=0.66983000 -2: X=0.17201000 Y=0.14947000 Z=0.83017000 -2: X=0.82799000 Y=0.85053000 Z=0.16983000 Pt NPT= 781 R0=.000005000 RMT= 1.72 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.10207000 Y=0.12953000 Z=0.09879000 MULT= 4 ISPLIT= 8 -3: X=0.89793000 Y=0.87047000 Z=0.90121000 -3: X=0.39793000 Y=0.37047000 Z=0.59879000 -3: X=0.60207000 Y=0.62953000 Z=0.40121000 Pt NPT= 781 R0=.000005000 RMT= 1.72 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.30460000 Y=0.05490000 Z=0.34720000 MULT= 4 ISPLIT= 8 -4: X=0.69540000 Y=0.94510000 Z=0.65280000 -4: X=0.19540000 Y=0.44510000 Z=0.84720000 -4: X=0.80460000 Y=0.55490000 Z=0.15280000 Ga NPT= 781 R0=.000050000 RMT= 1.49 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 -5: X=0.12900000 Y=0.42810000 Z=0.07730000 MULT= 4 ISPLIT= 8 -5: X=0.87100000 Y=0.57190000 Z=0.92270000 -5: X=0.37100000 Y=0.07190000 Z=0.57730000 -5: X=0.62900000 Y=0.92810000 Z=0.42270000 Ga NPT= 781 R0=.000050000 RMT= 1.49 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000