prnio_optimized.cfl

!   FILE for FullProf Studio: generated automatically by FullProf
!Title:  Pr2NiO4:Sr
SPACEG F m m m
CELL     5.417799    5.414600   12.483399  90.0000  90.0000  90.0000
!box -0.26 1.26 -0.26 1.26 -0.26 1.26
ATOM Pr      PR      0.51200  0.51240  0.35973  0.46830  2.00000
ATOM Ni      NI      0.00669  0.00645  0.00707  0.22045  1.00000
ATOM O1      O       0.24330  0.25720  0.01130  0.53540  2.00000
ATOM O2      O       0.02365  0.02512  0.17385  0.34321  1.40277
ATOM Oi      O       0.23450  0.23370  0.26015  0.00011  0.14931
ATOM Od      O       0.07797  0.06727  0.17443  2.31435  0.59723