(PbBr2)4 (Pnma) ~ PbBr2.cif (VASP) 1 7.921859 0.000000 0.000000 0.000000 4.684117 0.000000 0.000000 0.000000 9.646297 Pb Br 4 8 Direct configuration= 1 0.23514016 0.25000000 0.58500752 0.73514016 0.25000000 0.91499248 0.76485984 0.75000000 0.41499248 0.26485984 0.75000000 0.08500752 0.01138142 0.25000000 0.34084165 0.51138142 0.25000000 0.15915835 0.98861858 0.75000000 0.65915835 0.48861858 0.75000000 0.84084165 0.14171279 0.25000000 0.91369099 0.64171279 0.25000000 0.58630901 0.85828721 0.75000000 0.08630901 0.35828721 0.75000000 0.41369099