P   LATTICE,NONEQUIV.ATOMS   7   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.176424  7.176424 25.641694 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.10000000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.25000000 Z=0.90000000
Ca         NPT=  781  R0=.000050000 RMT= 2.14        Z:  20.00000              
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=0.75000000 Z=0.40565000
          MULT= 2          ISPLIT= 8
      -2: X=0.75000000 Y=0.25000000 Z=0.59435000
Bi         NPT=  781  R0=.000005000 RMT= 2.37        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.75580000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.24420000
C          NPT=  781  R0=.000100000 RMT= 2.04        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -4: X=0.75000000 Y=0.75000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.25000000 Y=0.75000000 Z=0.65760000
          MULT= 2          ISPLIT= 8
      -5: X=0.75000000 Y=0.25000000 Z=0.34240000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.04600000 Y=0.25000000 Z=0.20090000
          MULT= 4          ISPLIT= 8
      -6: X=0.95400000 Y=0.75000000 Z=0.79910000
      -6: X=0.54600000 Y=0.75000000 Z=0.79910000
      -6: X=0.45400000 Y=0.25000000 Z=0.20090000
O          NPT=  781  R0=.000100000 RMT= 1.46        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.75000000 Y=0.75000000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 2.25        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000