# tetracene cryst optimized by PBE-D3paw900, orbs=[[1],[2]]
data_nolabel
_cell_length_a                   6.07105615
_cell_length_b                   7.67719738
_cell_length_c                  12.94855886
_cell_angle_alpha                78.0060079
_cell_angle_beta                 71.9968816
_cell_angle_gamma                85.5900901
_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     .39360332   .04559545  -.00559388
 C     .39886038   .16411603  -.10523302
 C     .60247180   .19475914  -.19333377
 C     .60831353   .31259275  -.29525387
 C     .81004565   .33826929  -.38114689
 C    1.01864643   .24812404  -.37054343
 C    1.02113532   .13456138  -.27398817
 C     .81493324   .10351164  -.18228275
 C     .81158553  -.01323138  -.08360774
 C     .60639668  -.04559545   .00559388
 C     .60113962  -.16411603   .10523302
 C     .39752820  -.19475914   .19333377
 C     .39168647  -.31259275   .29525387
 C     .18995435  -.33826929   .38114689
 C    -.01864643  -.24812404   .37054343
 C    -.02113532  -.13456138   .27398817
 C     .18506676  -.10351164   .18228275
 C     .18841447   .01323138   .08360774
 H     .23951975   .23297852  -.11363841
 H     .44903496   .38166487  -.30336830
 H     .81083868   .42838338  -.45831920
 H    1.17710309   .27017445  -.43991259
 H    1.18014295   .06518242  -.26571108
 H     .97087304  -.08238001  -.07532568
 H     .76048025  -.23297852   .11363841
 H     .55096504  -.38166487   .30336830
 H     .18916132  -.42838338   .45831920
 H    -.17710309  -.27017445   .43991259
 H    -.18014295  -.06518242   .26571108
 H     .02912696   .08238001   .07532568
 C    -.08633428   .47550908  -.02260366
 C    -.05543740   .52776721  -.13712403
 C     .13642028   .62551022  -.20789526
 C     .17005320   .67912721  -.32420281
 C     .36183183   .77332347  -.39212634
 C     .53096135   .82146043  -.34763369
 C     .50485993   .77352445  -.23645384
 C     .30901025   .67408631  -.16280491
 C     .27954344   .62302819  -.04949393
 C     .08633428   .52449092   .02260366
 C     .05543740   .47223279   .13712403
 C    -.13642028   .37448978   .20789526
 C    -.17005320   .32087279   .32420281
 C    -.36183183   .22667653   .39212634
 C    -.53096135   .17853957   .34763369
 C    -.50485993   .22647555   .23645384
 C    -.30901025   .32591369   .16280491
 C    -.27954344   .37697181   .04949393
 H    -.18458649   .49039038  -.17101640
 H     .03878813   .64318940  -.35729391
 H     .38453156   .81268684  -.48065862
 H     .68158176   .89767026  -.40230714
 H     .63358868   .81034641  -.20226554
 H     .40912961   .65981181  -.01566612
 H     .18458649   .50960962   .17101640
 H    -.03878813   .35681060   .35729391
 H    -.38453156   .18731316   .48065862
 H    -.68158176   .10232974   .40230714
 H    -.63358868   .18965359   .20226554
 H    -.40912961   .34018819   .01566612
