40
beta-SiO_2 (high quartz) & P6_222 (#180, D^4_6) & hP9                          
Si    -3.76500000     2.17372376    -1.84100000
Si    -2.51000000      .00000000    -3.68200000
O     -1.85589400     1.82679745    -2.76150000
Si    -3.76500000    -2.17372376      .00000000
Si    -3.76500000     2.17372376     3.68200000
Si    -2.51000000      .00000000     1.84100000
O     -1.85589400     1.82679745     2.76150000
O     -1.85589400    -1.82679745      .92050000
O     -2.51000000      .69385263     -.92050000
Si    -1.25500000     2.17372377      .00000000
O       .65410600     2.52065008      .92050000
Si    -1.25500000    -2.17372377    -1.84100000
O       .65410600    -2.52065008    -2.76150000
O     -2.51000000     -.69385263     -.92050000
Si    -1.25500000    -2.17372377     3.68200000
O       .65410600    -2.52065008     2.76150000
Si     1.25500000     2.17372376    -1.84100000
Si     2.51000000      .00000000    -3.68200000
O      3.16410600     1.82679745    -2.76150000
O       .00000000    -3.65359490     -.92050000
O     -3.16410600    -1.82679745    -2.76150000
O       .00000000     3.65359490     -.92050000
Si     1.25500000    -2.17372376      .00000000
Si     1.25500000     2.17372376     3.68200000
Si     2.51000000      .00000000     1.84100000
O      3.16410600     1.82679745     2.76150000
O     -3.16410600     1.82679745      .92050000
O     -3.16410600    -1.82679745     2.76150000
O      3.16410600    -1.82679745      .92050000
O      2.51000000      .69385263     -.92050000
O      -.65410600     2.52065008    -2.76150000
Si     3.76500000     2.17372377      .00000000
O      -.65410600     2.52065008     2.76150000
Si     3.76500000    -2.17372377    -1.84100000
O      2.51000000     -.69385263     -.92050000
Si     3.76500000    -2.17372377     3.68200000
O      -.65410600    -2.52065008      .92050000
O      1.85589400    -1.82679745    -2.76150000
O      1.85589400     1.82679745      .92050000
O      1.85589400    -1.82679745     2.76150000


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


Primitive vectors
a(1) =   2.51000000 -4.34744753   .00000000
a(2) =   2.51000000  4.34744753   .00000000
a(3) =    .00000000   .00000000  5.52300000


Volume = 120.53498260


Reciprocal vectors
b(1) =    .19920319  -.11501001   .00000000
b(2) =    .19920319   .11501001  -.00000000
b(3) =   -.00000000   .00000000   .18106102


Basis Vectors:
Atom    Lattice Coordinates                Cartesian Coordinates

Si   .50000000  0.00000000   .00000000     1.25500000 -2.17372376   .00000000
Si  0.00000000   .50000000   .66666667     1.25500000  2.17372376  3.68200000
Si   .50000000   .50000000   .33333333     2.51000000   .00000000  1.84100000
O    .42020000   .84040000   .50000000     3.16410600  1.82679745  2.76150000
O   -.84040000  -.42020000   .16666667    -3.16410600  1.82679745   .92050000
O    .42020000  -.42020000   .83333333      .00000000 -3.65359490  4.60250000
O   -.42020000  -.84040000   .50000000    -3.16410600 -1.82679745  2.76150000
O    .84040000   .42020000   .16666667     3.16410600 -1.82679745   .92050000
O   -.42020000   .42020000   .83333333     -.00000000  3.65359490  4.60250000