My name is Jhonny, I work at PUC-Rio in Brazil and I'm having hard difficult to fit the ZrO2 tetragonal. I create the INP file using the follow structural data 

Space group: p21/c

a=5.1490

b=5.2070

c=5.3160

alpha=90

beta=99.2250

gamma=90

Zr (0.2750; 0.03900; 0.2090)

O (0.0650; 0.3260; 0.3100)

O (0.4610; 0.7570; 0.4790)

Several paths were created, but when I start to fit each path a message of ABORT appear saying "you have 3 variables but only 2 independent measurements in 1 data set"

One more thing, each path has 1 coordination number (deg)

I don't know what to do, I need some help.

Thank. 

Jhonny Huertas Flores
Rio de Janeiro-Brasil