scripts/cif2cod: tests/cases/cif2cod_028.inp data_1000035: WARNING, no Hall space group symbol found.
file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;gofref;duplicateof;optimal;status;flags;text;onhold
"1000035";"9.699";"0.001";"8.844";"0.001";"5.272";"0.001";"90";NULL;"106.97";"0.02";"90";NULL;"432.5";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"from Kakanui, New Zealand";"7";"C 1 2/c 1";NULL;NULL;"Sodium calcium magnesium iron titanium alumosilicate *";"Augite";"- Al.34 Ca.6 Fe.2 Mg.9 Na.1 O6 Si1.82 -";"- Al0.342 Ca0.616 Fe0.21 Mg0.902 Na0.09 O6 Si1.82 Ti0.02 -";"- Al1.368 Ca2.464 Fe0.84 Mg3.608 Na0.36 O24 Si7.28 Ti0.08 -";"4";"0.5";NULL;"Clark, J R; Appleman, D E; Papike, J J";"Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements";"Mineralogical Society of America: Special Papers";"1969";"2";NULL;"31";"50";NULL;NULL;NULL;NULL;NULL;NULL;"0.049";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Clark, J R; Appleman, D E; Papike, J J\nCrystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements\nMineralogical Society of America: Special Papers\n2\n(1969)\n31-50";NULL
