Troilite
Skala R, Cisarova I, Drabek M
American Mineralogist 91 (2006) 917-921
Inversion twinning in troilite
Sample: Etter
_database_code_amcsd 0004158
5.9650 5.9650 11.7570 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  .3791  .0549 .12303 .0152  .0183  .0155  .0130  .0093 -.0003 -.0009
S1       0      0      0 .0136  .0115  .0115  .0178 .00575      0      0
S2     1/3    2/3  .0198 .0125  .0114  .0114  .0147  .0057      0      0
S3   .6653 -.0035    .25 .0130  .0129  .0110  .0149  .0059      0      0