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
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