P   LATTICE,NONEQUIV.ATOMS   8   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.162062 27.457721 11.905275 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.70900000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.25000000 Z=0.29100000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.25000000 Y=0.03500000 Z=0.19300000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.96500000 Z=0.80700000
      -2: X=0.75000000 Y=0.53500000 Z=0.80700000
      -2: X=0.25000000 Y=0.46500000 Z=0.19300000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.12600000 Z=0.75000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.87400000 Z=0.25000000
      -3: X=0.75000000 Y=0.62600000 Z=0.25000000
      -3: X=0.25000000 Y=0.37400000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.51000000 Z=0.86000000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.49000000 Z=0.14000000
      -4: X=0.75000000 Y=0.01000000 Z=0.14000000
      -4: X=0.25000000 Y=0.99000000 Z=0.86000000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.59200000 Z=0.26700000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.40800000 Z=0.73300000
      -5: X=0.75000000 Y=0.09200000 Z=0.73300000
      -5: X=0.25000000 Y=0.90800000 Z=0.26700000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.15400000 Z=0.04200000
          MULT= 4          ISPLIT= 8
      -6: X=0.75000000 Y=0.84600000 Z=0.95800000
      -6: X=0.75000000 Y=0.65400000 Z=0.95800000
      -6: X=0.25000000 Y=0.34600000 Z=0.04200000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.25000000 Y=0.10000000 Z=0.45000000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.90000000 Z=0.55000000
      -7: X=0.75000000 Y=0.60000000 Z=0.55000000
      -7: X=0.25000000 Y=0.40000000 Z=0.45000000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.25000000 Y=0.25000000 Z=0.66000000
          MULT= 2          ISPLIT= 8
      -8: X=0.75000000 Y=0.75000000 Z=0.34000000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000