Witherite
de Villiers J P R
American Mineralogist 56 (1971) 758-767
Crystal structures of aragonite, strontianite, and witherite
_database_code_amcsd 0000235
5.3126 8.8958 6.4284 90 90 90 Pmcn
atom     x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba     .25 .41631 .7549 .00483 .00182  .0016      0      0 -.0001
C      .25 .7570 -.0810  .0051  .0023  .0124      0      0  .0016
O1     .25 .9011 -.0878  .0107  .0020  .0106      0      0 -.0005
O2   .4595 .6839 -.0790  .0072  .0027  .0081  .0007 -.0010  .0006