P   LATTICE,NONEQUIV.ATOMS   7   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.306782 17.530989  6.591365 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48720000 Y=0.19770000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.51280000 Y=0.80230000 Z=0.00000000
      -1: X=0.01280000 Y=0.69770000 Z=0.50000000
      -1: X=0.98720000 Y=0.30230000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16900000 Y=0.54870000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83100000 Y=0.45130000 Z=0.00000000
      -2: X=0.33100000 Y=0.04870000 Z=0.50000000
      -2: X=0.66900000 Y=0.95130000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
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= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.19        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  -4: X=0.22900000 Y=0.29090000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.77100000 Y=0.70910000 Z=0.00000000
      -4: X=0.27100000 Y=0.79090000 Z=0.50000000
      -4: X=0.72900000 Y=0.20910000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.20        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25250000 Y=0.14238000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.74750000 Y=0.85762000 Z=0.00000000
      -5: X=0.24750000 Y=0.64238000 Z=0.50000000
      -5: X=0.75250000 Y=0.35762000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.07330000 Y=0.35075000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.92670000 Y=0.64925000 Z=0.00000000
      -6: X=0.42670000 Y=0.85075000 Z=0.50000000
      -6: X=0.57330000 Y=0.14925000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.36570000 Y=0.38099000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.63430000 Y=0.61901000 Z=0.00000000
      -7: X=0.13430000 Y=0.88099000 Z=0.50000000
      -7: X=0.86570000 Y=0.11901000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000