P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.823682 12.135821 14.885373 90.000000 90.000000106.100000                   
ATOM  -1: X=0.51090000 Y=0.25880000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.48910000 Y=0.74120000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.46        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.35870000 Y=0.64760000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.64130000 Y=0.35240000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.46        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13510000 Y=0.25680000 Z=0.06280000
          MULT= 4          ISPLIT= 8
      -3: X=0.86490000 Y=0.74320000 Z=0.93720000
      -3: X=0.86490000 Y=0.74320000 Z=0.56280000
      -3: X=0.13510000 Y=0.25680000 Z=0.43720000
P          NPT=  781  R0=.000100000 RMT= 1.46        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.53950000 Y=0.52400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.46050000 Y=0.47600000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.21990000 Y=0.52090000 Z=0.08960000
          MULT= 4          ISPLIT= 8
      -5: X=0.78010000 Y=0.47910000 Z=0.91040000
      -5: X=0.78010000 Y=0.47910000 Z=0.58960000
      -5: X=0.21990000 Y=0.52090000 Z=0.41040000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.35010000 Y=0.19180000 Z=0.08960000
          MULT= 4          ISPLIT= 8
      -6: X=0.64990000 Y=0.80820000 Z=0.91040000
      -6: X=0.64990000 Y=0.80820000 Z=0.58960000
      -6: X=0.35010000 Y=0.19180000 Z=0.41040000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.02810000 Y=0.19110000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.97190000 Y=0.80890000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000