Mertieite Marsh R E Acta Crystallographica A50 (1994) 450-455 The centrosymmetric - noncentrosymmetric ambiguity: some more examples _database_code_amcsd 0009331 7.6152 7.6152 43.032 90 90 120 R-3c atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Pd1 .3321 .4028 .0522 .0217 .0172 .0230 .0207 .0069 .0017 -.0021 Pd2 .3404 .0310 .0175 .0208 .0120 .0228 .0262 .0077 .0036 .0022 Pd3 0 0 .2188 .0272 .0282 .0282 .0251 .0141 0 0 Pd4 0 0 .0620 .0228 .0226 .0226 .0231 .0113 0 0 Sbl -.3189 0 .2500 .0182 .0190 .0181 .0172 .0091 0 0 Sb2 0 0 .1570 .0191 .0174 .0174 .0225 .0087 0 0 Sb3 0 0 0 .0198 .0181 .0181 .0232 .0090 0 0