Troilite
Skala R, Cisarova I, Drabek M
American Mineralogist 91 (2006) 917-921
Inversion twinning in troilite
Sample: Georgetown
_database_code_amcsd 0004159
5.9650 5.9650 11.7590 90 90 120 P-62c
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .3788  .0548 .12311 .0145  .0177  .0153  .0119  .0093 -.0004 -.0009
S1       0      0      0 .0125  .0101  .0101  .0175 .00505      0      0
S2     1/3    2/3  .0200 .0112  .0099  .0099  .0138 .00495      0      0
S3   .6652 -.0033    .25 .0118  .0120  .0110  .0127  .0059      0      0