c------------------------------------------------------------ go data/SnO2 c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma st 8.95, 0.673, , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.1 sra vwn nmag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 4 200 0.023 c------------------------------------------------------------ c ntyp 2 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Sn 1 1 0.0 2 50 100 O 1 1 0.0 2 8 100 c------------------------------------------------------------ c natm 6 c------------------------------------------------------------ c atmicx atmtyp 0.0a 0.0b 0.0c Sn 1/2a 1/2b 1/2c Sn 0.307a 0.307b 0.0c O 0.693a 0.693b 0.0c O 0.193a 0.807b 1/2c O 0.807a 0.193b 1/2c O c------------------------------------------------------------ c------------------------------------------------------------ dos data/SnO2 c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma st 8.95, 0.673, , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.8 sra vwn nmag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 8 200 0.023 c------------------------------------------------------------ c ntyp 2 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Sn 1 1 0.0 2 50 100 O 1 1 0.0 2 8 100 c------------------------------------------------------------ c natm 6 c------------------------------------------------------------ c atmicx atmtyp 0.0a 0.0b 0.0c Sn 1/2a 1/2b 1/2c Sn 0.307a 0.307b 0.0c O 0.693a 0.693b 0.0c O 0.193a 0.807b 1/2c O 0.807a 0.193b 1/2c O c------------------------------------------------------------