cell 4.903 4.903 5.393 90 90 120 Titl Alpha-Quartz atom O1 0.415 0.272 0.120 SYMM y-x,-x,z+0.3333 SYMM -y,x-y,z+0.3333 SYMM x-y,-y,-z SYMM y, x, 0.6667-z SYMM -x,y-x,0.3333-z atom Si2 0.465 0.0 0.0 symm -x, -x, 0.3333 symm 0, x, 0.6667 box .6 end