P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.730965  7.710083 11.931731 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16470000 Y=0.25000000 Z=0.03280000
          MULT= 4          ISPLIT= 8
      -1: X=0.83530000 Y=0.75000000 Z=0.96720000
      -1: X=0.66470000 Y=0.25000000 Z=0.46720000
      -1: X=0.33530000 Y=0.75000000 Z=0.53280000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.42160000 Y=0.25000000 Z=0.23320000
          MULT= 4          ISPLIT= 8
      -2: X=0.57840000 Y=0.75000000 Z=0.76680000
      -2: X=0.92160000 Y=0.25000000 Z=0.26680000
      -2: X=0.07840000 Y=0.75000000 Z=0.73320000
Se         NPT=  781  R0=.000050000 RMT= 2.18        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.03100000 Y=0.25000000 Z=0.59600000
          MULT= 4          ISPLIT= 8
      -3: X=0.96900000 Y=0.75000000 Z=0.40400000
      -3: X=0.53100000 Y=0.25000000 Z=0.90400000
      -3: X=0.46900000 Y=0.75000000 Z=0.09600000
F          NPT=  781  R0=.000100000 RMT= 2.07        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000