P   LATTICE,NONEQUIV.ATOMS   9    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.012260 10.224174 10.045406 90.000000 90.000000106.863000                   
ATOM  -1: X=0.33664000 Y=0.37670000 Z=0.11582000
          MULT= 2          ISPLIT= 8
      -1: X=0.66336000 Y=0.62330000 Z=0.61582000
I          NPT=  781  R0=.000010000 RMT= 1.81        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03549000 Y=0.76513000 Z=0.38476000
          MULT= 2          ISPLIT= 8
      -2: X=0.96451000 Y=0.23487000 Z=0.88476000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.04280000 Y=0.50920000 Z=0.18010000
          MULT= 2          ISPLIT= 8
      -3: X=0.95720000 Y=0.49080000 Z=0.68010000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -4: X=0.21400000 Y=0.35740000 Z=0.83990000
          MULT= 2          ISPLIT= 8
      -4: X=0.78600000 Y=0.64260000 Z=0.33990000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -5: X=0.04320000 Y=0.01830000 Z=0.16680000
          MULT= 2          ISPLIT= 8
      -5: X=0.95680000 Y=0.98170000 Z=0.66680000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -6: X=0.41680000 Y=0.11960000 Z=0.03810000
          MULT= 2          ISPLIT= 8
      -6: X=0.58320000 Y=0.88040000 Z=0.53810000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.51020000 Y=0.34960000 Z=0.51280000
          MULT= 2          ISPLIT= 8
      -7: X=0.48980000 Y=0.65040000 Z=0.01280000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -8: X=0.78000000 Y=0.14260000 Z=0.01160000
          MULT= 2          ISPLIT= 8
      -8: X=0.22000000 Y=0.85740000 Z=0.51160000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -9: X=0.58300000 Y=0.00600000 Z=0.19400000
          MULT= 2          ISPLIT= 8
      -9: X=0.41700000 Y=0.99400000 Z=0.69400000
Li         NPT=  781  R0=.000100000 RMT= 1.65        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000