P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.534553  9.819395 23.151791 90.000000 90.000000112.851000                   
ATOM  -1: X=0.20015000 Y=0.36043000 Z=0.44939000
          MULT= 4          ISPLIT= 8
      -1: X=0.79985000 Y=0.63957000 Z=0.55061000
      -1: X=0.29985000 Y=0.13957000 Z=0.94939000
      -1: X=0.70015000 Y=0.86043000 Z=0.05061000
Y          NPT=  781  R0=.000010000 RMT= 1.67        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46480000 Y=0.54720000 Z=0.09880000
          MULT= 4          ISPLIT= 8
      -2: X=0.53520000 Y=0.45280000 Z=0.90120000
      -2: X=0.03520000 Y=0.95280000 Z=0.59880000
      -2: X=0.96480000 Y=0.04720000 Z=0.40120000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12920000 Y=0.07718000 Z=0.14392000
          MULT= 4          ISPLIT= 8
      -3: X=0.87080000 Y=0.92282000 Z=0.85608000
      -3: X=0.37080000 Y=0.42282000 Z=0.64392000
      -3: X=0.62920000 Y=0.57718000 Z=0.35608000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.09140000 Y=0.23680000 Z=0.84490000
          MULT= 4          ISPLIT= 8
      -4: X=0.90860000 Y=0.76320000 Z=0.15510000
      -4: X=0.40860000 Y=0.26320000 Z=0.34490000
      -4: X=0.59140000 Y=0.73680000 Z=0.65510000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.20660000 Y=0.19210000 Z=0.27650000
          MULT= 4          ISPLIT= 8
      -5: X=0.79340000 Y=0.80790000 Z=0.72350000
      -5: X=0.29340000 Y=0.30790000 Z=0.77650000
      -5: X=0.70660000 Y=0.69210000 Z=0.22350000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.33660000 Y=0.00480000 Z=0.06980000
          MULT= 4          ISPLIT= 8
      -6: X=0.66340000 Y=0.99520000 Z=0.93020000
      -6: X=0.16340000 Y=0.49520000 Z=0.56980000
      -6: X=0.83660000 Y=0.50480000 Z=0.43020000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.03780000 Y=0.30680000 Z=0.06490000
          MULT= 4          ISPLIT= 8
      -7: X=0.96220000 Y=0.69320000 Z=0.93510000
      -7: X=0.46220000 Y=0.19320000 Z=0.56490000
      -7: X=0.53780000 Y=0.80680000 Z=0.43510000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000