Kalsilite
Cellai D, Bonazzi P, Carpenter M A
American Mineralogist 82 (1997) 276-279
Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning
_database_code_amcsd 0001874
5.157 5.157 8.706 90 90 120 P31c
atom    x    y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K       0    0   .25  .0154  .0154  .0187  .0077      0      0
Al1   1/3  2/3 .0594  .0013  .0013  .0112 .00065      0      0
Si2   1/3  2/3 .4416  .0104  .0104  .0058  .0052      0      0
O1   .616 .011  .000   .009   .009   .031   .003   .006   .004
O2    1/3  2/3  .260   .036   .036   .004   .018      0      0