P   LATTICE,NONEQUIV.ATOMS   3   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.721636 12.838799 25.220285 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37210000 Y=0.03840000 Z=0.18540000
          MULT= 8          ISPLIT= 8
      -1: X=0.62790000 Y=0.96160000 Z=0.81460000
      -1: X=0.87210000 Y=0.03840000 Z=0.31460000
      -1: X=0.12790000 Y=0.96160000 Z=0.68540000
      -1: X=0.12790000 Y=0.53840000 Z=0.18540000
      -1: X=0.87210000 Y=0.46160000 Z=0.81460000
      -1: X=0.62790000 Y=0.53840000 Z=0.31460000
      -1: X=0.37210000 Y=0.46160000 Z=0.68540000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.13890000 Y=0.30550000 Z=0.43520000
          MULT= 8          ISPLIT= 8
      -2: X=0.86110000 Y=0.69450000 Z=0.56480000
      -2: X=0.63890000 Y=0.30550000 Z=0.06480000
      -2: X=0.36110000 Y=0.69450000 Z=0.93520000
      -2: X=0.36110000 Y=0.80550000 Z=0.43520000
      -2: X=0.63890000 Y=0.19450000 Z=0.56480000
      -2: X=0.86110000 Y=0.80550000 Z=0.06480000
      -2: X=0.13890000 Y=0.19450000 Z=0.93520000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00200000 Y=0.16680000 Z=0.12980000
          MULT= 8          ISPLIT= 8
      -3: X=0.99800000 Y=0.83320000 Z=0.87020000
      -3: X=0.50200000 Y=0.16680000 Z=0.37020000
      -3: X=0.49800000 Y=0.83320000 Z=0.62980000
      -3: X=0.49800000 Y=0.66680000 Z=0.12980000
      -3: X=0.50200000 Y=0.33320000 Z=0.87020000
      -3: X=0.99800000 Y=0.66680000 Z=0.37020000
      -3: X=0.00200000 Y=0.33320000 Z=0.62980000
Pt         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  78.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000