P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.156824 19.834566 25.403588 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.41009000 Y=0.25000000 Z=0.54571000
          MULT= 4          ISPLIT= 8
      -1: X=0.58991000 Y=0.75000000 Z=0.45429000
      -1: X=0.91009000 Y=0.25000000 Z=0.95429000
      -1: X=0.08991000 Y=0.75000000 Z=0.04571000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.08833000 Y=0.52096000 Z=0.32851000
          MULT= 8          ISPLIT= 8
      -2: X=0.91167000 Y=0.47904000 Z=0.67149000
      -2: X=0.58833000 Y=0.52096000 Z=0.17149000
      -2: X=0.41167000 Y=0.47904000 Z=0.82851000
      -2: X=0.41167000 Y=0.02096000 Z=0.82851000
      -2: X=0.58833000 Y=0.97904000 Z=0.17149000
      -2: X=0.91167000 Y=0.02096000 Z=0.67149000
      -2: X=0.08833000 Y=0.97904000 Z=0.32851000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30926000 Y=0.25000000 Z=0.10877000
          MULT= 4          ISPLIT= 8
      -3: X=0.69074000 Y=0.75000000 Z=0.89123000
      -3: X=0.80926000 Y=0.25000000 Z=0.39123000
      -3: X=0.19074000 Y=0.75000000 Z=0.60877000
Zn         NPT=  781  R0=.000050000 RMT= 2.30        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36540000 Y=0.25000000 Z=0.28201000
          MULT= 4          ISPLIT= 8
      -4: X=0.63460000 Y=0.75000000 Z=0.71799000
      -4: X=0.86540000 Y=0.25000000 Z=0.21799000
      -4: X=0.13460000 Y=0.75000000 Z=0.78201000
Br         NPT=  781  R0=.000050000 RMT= 2.18        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.03550000 Y=0.25000000 Z=0.48588000
          MULT= 4          ISPLIT= 8
      -5: X=0.96450000 Y=0.75000000 Z=0.51412000
      -5: X=0.53550000 Y=0.25000000 Z=0.01412000
      -5: X=0.46450000 Y=0.75000000 Z=0.98588000
Br         NPT=  781  R0=.000050000 RMT= 2.18        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.16119000 Y=0.25000000 Z=0.76586000
          MULT= 4          ISPLIT= 8
      -6: X=0.83881000 Y=0.75000000 Z=0.23414000
      -6: X=0.66119000 Y=0.25000000 Z=0.73414000
      -6: X=0.33881000 Y=0.75000000 Z=0.26586000
Br         NPT=  781  R0=.000050000 RMT= 2.18        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.18563000 Y=0.05727000 Z=0.06426000
          MULT= 8          ISPLIT= 8
      -7: X=0.81437000 Y=0.94273000 Z=0.93574000
      -7: X=0.68563000 Y=0.05727000 Z=0.43574000
      -7: X=0.31437000 Y=0.94273000 Z=0.56426000
      -7: X=0.31437000 Y=0.55727000 Z=0.56426000
      -7: X=0.68563000 Y=0.44273000 Z=0.43574000
      -7: X=0.81437000 Y=0.55727000 Z=0.93574000
      -7: X=0.18563000 Y=0.44273000 Z=0.06426000
Br         NPT=  781  R0=.000050000 RMT= 2.18        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000