# tetracene cryst optimized by PBE-D3paw600, orbs=[[1],[2]]
data_nolabel
_cell_length_a                   6.00705649
_cell_length_b                   7.79347108
_cell_length_c                  12.91484507
_cell_angle_alpha                77.3313154
_cell_angle_beta                 72.4396575
_cell_angle_gamma                85.594212
_cell_formula_units_Z            2
_symmetry_space_group_name_H-M   P-1
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C     .39289713   .04585987  -.00575629
 C     .39788809   .16469768  -.10587741
 C     .60254660   .19515065  -.19412071
 C     .60812372   .31350467  -.29648782
 C     .81090461   .33915516  -.38245105
 C    1.02085030   .24842883  -.37157878
 C    1.02362979   .13421249  -.27464245
 C     .81640820   .10331886  -.18276664
 C     .81332451  -.01377142  -.08361976
 C     .60710287  -.04585987   .00575629
 C     .60211191  -.16469768   .10587741
 C     .39745340  -.19515065   .19412071
 C     .39187628  -.31350467   .29648782
 C     .18909539  -.33915516   .38245105
 C    -.02085030  -.24842883   .37157878
 C    -.02362979  -.13421249   .27464245
 C     .18359180  -.10331886   .18276664
 C     .18667549   .01377142   .08361976
 H     .23754814   .23394139  -.11459040
 H     .44781600   .38289440  -.30489952
 H     .81154872   .42946377  -.46001531
 H    1.18000148   .27045546  -.44108077
 H    1.18361302   .06431582  -.26618384
 H     .97362473  -.08326846  -.07504911
 H     .76245186  -.23394139   .11459040
 H     .55218400  -.38289440   .30489952
 H     .18845128  -.42946377   .46001531
 H    -.18000148  -.27045546   .44108077
 H    -.18361302  -.06431582   .26618384
 H     .02637527   .08326846   .07504911
 C    -.08687174   .47543615  -.02284975
 C    -.05620101   .52790964  -.13792097
 C     .13635873   .62598352  -.20873953
 C     .16960805   .67992280  -.32558988
 C     .36229993   .77414844  -.39356775
 C     .53284874   .82198308  -.34865654
 C     .50700747   .77403679  -.23695021
 C     .31016323   .67456229  -.16317969
 C     .28088924   .62336546  -.04932485
 C     .08687174   .52456385   .02284975
 C     .05620101   .47209036   .13792097
 C    -.13635873   .37401648   .20873953
 C    -.16960805   .32007720   .32558988
 C    -.36229993   .22585156   .39356775
 C    -.53284874   .17801692   .34865654
 C    -.50700747   .22596321   .23695021
 C    -.31016323   .32543771   .16317969
 C    -.28088924   .37663454   .04932485
 H    -.18612228   .49059785  -.17224232
 H     .03732711   .64414627  -.35903724
 H     .38498628   .81359922  -.48252064
 H     .68437307   .89785473  -.40350346
 H     .63683790   .81073215  -.20251472
 H     .41133275   .66011803  -.01512343
 H     .18612228   .50940215   .17224232
 H    -.03732711   .35585373   .35903724
 H    -.38498628   .18640078   .48252064
 H    -.68437307   .10214527   .40350346
 H    -.63683790   .18926785   .20251472
 H    -.41133275   .33988197   .01512343
