FeSe                                                                            
P   LATTICE,NONEQUIV. ATOMS  8     
MODE OF CALC=RELA unit=ang 
 14.257612  7.128806 20.869010 90.000000 90.000000 90.000000
ATOM   1: X=0.12500000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
ATOM   1: X=0.37500000 Y=0.25000000 Z=0.00000000
Fe         NPT=  781  R0=0.00010000 RMT=    2.3800   Z: 26.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.62500000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
ATOM   2: X=0.87500000 Y=0.25000000 Z=0.00000000
Fe         NPT=  781  R0=0.00010000 RMT=    2.3800   Z: 26.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   3: X=0.12500000 Y=0.75000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
ATOM   3: X=0.37500000 Y=0.25000000 Z=0.50000000
Fe         NPT=  781  R0=0.00010000 RMT=    2.3800   Z: 26.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   4: X=0.62500000 Y=0.75000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
ATOM   4: X=0.87500000 Y=0.25000000 Z=0.50000000
Fe         NPT=  781  R0=0.00010000 RMT=    2.3800   Z: 26.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   5: X=0.12500000 Y=0.25000000 Z=0.13365000
          MULT= 2          ISPLIT= 8
ATOM   5: X=0.37500000 Y=0.75000000 Z=0.36635000
Se         NPT=  781  R0=0.00010000 RMT=    2.1100   Z: 34.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
ATOM   6: X=0.62500000 Y=0.25000000 Z=0.13365000
          MULT= 2          ISPLIT= 8
ATOM   6: X=0.87500000 Y=0.75000000 Z=0.36635000
Se         NPT=  781  R0=0.00010000 RMT=    2.1100   Z: 34.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
ATOM   7: X=0.12500000 Y=0.25000000 Z=0.63365000
          MULT= 2          ISPLIT= 8
ATOM   7: X=0.37500000 Y=0.75000000 Z=0.86635000
Se         NPT=  781  R0=0.00010000 RMT=    2.1100   Z: 34.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
ATOM   8: X=0.62500000 Y=0.25000000 Z=0.63365000
          MULT= 2          ISPLIT= 8
ATOM   8: X=0.87500000 Y=0.75000000 Z=0.86635000
Se         NPT=  781  R0=0.00010000 RMT=    2.1100   Z: 34.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000