H   LATTICE,NONEQUIV.ATOMS   9  174 P-6                                        
MODE OF CALC=RELA unit=bohr                                                    
 20.365579 20.365579  7.989762 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28740000 Y=0.39940000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -1: X=0.11200000 Y=0.71260000 Z=0.50000000
      -1: X=0.60060000 Y=0.88800000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.37        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=0.41080000 Y=0.10820000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.69740000 Y=0.58920000 Z=0.00000000
      -2: X=0.89180000 Y=0.30260000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.37        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.37        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  -4: X=0.04810000 Y=0.43680000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -4: X=0.38870000 Y=0.95190000 Z=0.50000000
      -4: X=0.56320000 Y=0.61130000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 2.49        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21480000 Y=0.11933000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -5: X=0.90453000 Y=0.78520000 Z=0.50000000
      -5: X=0.88067000 Y=0.09547000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 2.49        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.43010000 Y=0.36640000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -6: X=0.93630000 Y=0.56990000 Z=0.00000000
      -6: X=0.63360000 Y=0.06370000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 2.49        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.66666667 Y=0.33333333 Z=0.50000000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.12130000 Y=0.27630000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -9: X=0.15500000 Y=0.87870000 Z=0.00000000
      -9: X=0.72370000 Y=0.84500000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 2.49        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000