44
alpha-SiO_2 (low quartz) & P3_221 (#154, D^6_3) & hP9
Si    -3.75899667    -1.99948522    -1.80173333
Si    -3.75899667     1.99948522    -3.60346667
O     -3.23743926     -.62124887    -1.15995592
Si    -3.75899667    -1.99948522     3.60346667
Si    -3.75899667     1.99948522     1.80173333
O     -3.23743926      .62124887     1.15995592
Si    -1.30229667     2.25564400    -1.80173333
O      -.78073926     3.63388035    -1.15995592
Si    -1.30229667     2.25564400     3.60346667
O     -3.83269767     3.11432908      .64177741
O     -2.75666307     2.49308021    -2.44351075
O     -2.75666307     2.49308021     2.96168925
Si    -1.30229667    -2.25564400    -3.60346667
O     -2.75666307    -2.49308021    -2.96168925
Si    -1.30229667    -2.25564400     1.80173333
O     -2.75666307    -2.49308021     2.44351075
O     -3.83269767    -3.11432908     -.64177741
O      -.78073926    -3.63388035     1.15995592
Si     1.15440333    -1.99948522    -1.80173333
Si     1.15440333     1.99948522    -3.60346667
O      1.67596074     -.62124887    -1.15995592
O      -.29996307     1.76204901    -2.96168925
Si     1.15440333    -1.99948522     3.60346667
Si     1.15440333     1.99948522     1.80173333
Si    -2.30880666      .00000000      .00000000
O      -.29996307     1.76204901     2.44351075
O     -1.37599767    -1.14080014      .64177741
O     -1.37599767     1.14080014     -.64177741
O      -.29996307    -1.76204901    -2.44351075
O      1.67596074      .62124887     1.15995592
O      -.29996307    -1.76204901     2.96168925
Si     3.61110333     2.25564400    -1.80173333
Si     3.61110333     2.25564400     3.60346667
O      1.08070233     3.11432908      .64177741
O      2.15673693     2.49308021    -2.44351075
O      2.15673693     2.49308021     2.96168925
Si     3.61110333    -2.25564400    -3.60346667
O      2.15673693    -2.49308021    -2.96168925
Si     3.61110333    -2.25564400     1.80173333
O      2.15673693    -2.49308021     2.44351075
O      1.08070233    -3.11432908     -.64177741
Si     2.60459334      .00000000      .00000000
O      3.53740233    -1.14080014      .64177741
O      3.53740233     1.14080014     -.64177741


****************************************


Primitive vectors
a(1) =   2.45670000 -4.25512922   .00000000
a(2) =   2.45670000  4.25512922   .00000000
a(3) =    .00000000   .00000000  5.40520000


Volume = 113.00733750


Reciprocal vectors
b(1) =    .20352505  -.11750524   .00000000
b(2) =    .20352505   .11750524  -.00000000
b(3) =   -.00000000   .00000000   .18500703


Basis Vectors:
Atom    Lattice Coordinates                Cartesian Coordinates

Si   .46990000  0.00000000   .66666667     1.15440333 -1.99948522  3.60346667
Si  0.00000000   .46990000   .33333333     1.15440333  1.99948522  1.80173333
Si  -.46990000  -.46990000   .00000000    -2.30880666  -.00000000   .00000000
O    .41410000   .26810000   .78540000     1.67596074  -.62124887  4.24524408
O   -.26810000   .14600000   .45206667     -.29996307  1.76204901  2.44351075
O   -.14600000  -.41410000   .11873333    -1.37599767 -1.14080014   .64177741
O    .26810000   .41410000  -.78540000     1.67596074   .62124887 -4.24524408
O   -.41410000  -.14600000  -.11873333    -1.37599767  1.14080014  -.64177741
O    .14600000  -.26810000  -.45206667     -.29996307 -1.76204901 -2.44351075