P   LATTICE,NONEQUIV.ATOMS   5    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.449396 12.147915  7.153936 90.000000 90.000000 91.434000                   
ATOM  -1: X=0.48759000 Y=0.24614000 Z=0.63714000
          MULT= 2          ISPLIT= 8
      -1: X=0.51241000 Y=0.75386000 Z=0.13714000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14385000 Y=0.42659000 Z=0.13666000
          MULT= 2          ISPLIT= 8
      -2: X=0.85615000 Y=0.57341000 Z=0.63666000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.86029000 Y=0.08196000 Z=0.13718000
          MULT= 2          ISPLIT= 8
      -3: X=0.13971000 Y=0.91804000 Z=0.63718000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00245000 Y=0.75380000 Z=0.13704000
          MULT= 2          ISPLIT= 8
      -4: X=0.99755000 Y=0.24620000 Z=0.63704000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.65153000 Y=0.39342000 Z=0.13737000
          MULT= 2          ISPLIT= 8
      -5: X=0.34847000 Y=0.60658000 Z=0.63737000
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