P   LATTICE,NONEQUIV.ATOMS   7   85 P4/n    
MODE OF CALC=RELA unit=bohr
 19.681498 19.681498 17.650042 90.000000 90.000000 90.000000
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.66585000
          MULT= 2          ISPLIT=15
      -1: X=0.75000000 Y=0.75000000 Z=0.33415000
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
ATOM  -2: X=0.14686000 Y=0.54679000 Z=0.34636000
          MULT= 8          ISPLIT=15
      -2: X=0.85314000 Y=0.45321000 Z=0.65364000
      -2: X=0.95321000 Y=0.14686000 Z=0.34636000
      -2: X=0.04679000 Y=0.85314000 Z=0.65364000
      -2: X=0.35314000 Y=0.95321000 Z=0.34636000
      -2: X=0.64686000 Y=0.04679000 Z=0.65364000
      -2: X=0.54679000 Y=0.35314000 Z=0.34636000
      -2: X=0.45321000 Y=0.64686000 Z=0.65364000
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
ATOM  -3: X=0.16953000 Y=0.02200000 Z=0.00206000
          MULT= 8          ISPLIT=15
      -3: X=0.83047000 Y=0.97800000 Z=0.99794000
      -3: X=0.47800000 Y=0.16953000 Z=0.00206000
      -3: X=0.52200000 Y=0.83047000 Z=0.99794000
      -3: X=0.33047000 Y=0.47800000 Z=0.00206000
      -3: X=0.66953000 Y=0.52200000 Z=0.99794000
      -3: X=0.02200000 Y=0.33047000 Z=0.00206000
      -3: X=0.97800000 Y=0.66953000 Z=0.99794000
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
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.30692000
          MULT= 2          ISPLIT=15
      -4: X=0.75000000 Y=0.75000000 Z=0.69308000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.65242000 Y=0.05245000 Z=0.29717000
          MULT= 8          ISPLIT=15
      -5: X=0.34758000 Y=0.94755000 Z=0.70283000
      -5: X=0.44755000 Y=0.65242000 Z=0.29717000
      -5: X=0.55245000 Y=0.34758000 Z=0.70283000
      -5: X=0.84758000 Y=0.44755000 Z=0.29717000
      -5: X=0.15242000 Y=0.55245000 Z=0.70283000
      -5: X=0.05245000 Y=0.84758000 Z=0.29717000
      -5: X=0.94755000 Y=0.15242000 Z=0.70283000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25000000 Y=0.25000000 Z=0.93200000
          MULT= 2          ISPLIT=15
      -6: X=0.75000000 Y=0.75000000 Z=0.06800000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12990000 Y=0.52540000 Z=0.09070000
          MULT= 8          ISPLIT=15
      -7: X=0.87010000 Y=0.47460000 Z=0.90930000
      -7: X=0.97460000 Y=0.12990000 Z=0.09070000
      -7: X=0.02540000 Y=0.87010000 Z=0.90930000
      -7: X=0.37010000 Y=0.97460000 Z=0.09070000
      -7: X=0.62990000 Y=0.02540000 Z=0.90930000
      -7: X=0.52540000 Y=0.37010000 Z=0.09070000
      -7: X=0.47460000 Y=0.62990000 Z=0.90930000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000