Dolomite
Reeder R J, Wenk H R
American Mineralogist 68 (1983) 769-776
Structure refinements of some thermally disordered dolomites
sample DO - 1100
_database_code_amcsd 0000906
4.805 4.805 16.022 90 90 120 R-3
atom     x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Ca1      0      0      0 .877 .01414 .01414 .00101 .00707       0       0
Mg1      0      0      0 .123 .01414 .01414 .00101 .00707       0       0
Ca2      0      0     .5 .124 .01176 .01176 .00104 .00588       0       0
Mg2      0      0     .5 .876 .01175 .01176 .00104 .00588       0       0
C        0      0  .2442      .01594 .01594 .00092 .00797       0       0
O    .2516 -.0277 .24514      .01731 .02555 .00178 .01305 -.00011 -.00012