# TSF cryst optimized by PBE-D3paw600
data_nolabel
_cell_length_a      8.62259397
_cell_length_b      8.56109049
_cell_length_c     10.35294255
_cell_angle_alpha  105.16183344
_cell_angle_beta   106.83166236
_cell_angle_gamma  107.81682867
_cell_formula_units_Z  3
_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
  Se    .02563317   .64580052   .33826922
  Se    .30183210   .55544022   .56006263
  C     .06427810   .53879761   .47948560
  C     .26140466   .70997976   .35017771
  C     .37550290   .67240172   .44228510
  H     .29418978   .77663025   .27912934
  H     .51377175   .70629150   .45768342
  Se   -.02563317   .35419948   .66173078
  Se   -.30183210   .44455978   .43993737
  C    -.06427810   .46120239   .52051440
  C    -.26140466   .29002024   .64982229
  C    -.37550290   .32759828   .55771490
  H    -.29418978   .22336975   .72087066
  H    -.51377175   .29370850   .54231658
  Se   -.00921825   .29175710  1.05920800
  Se   -.26638481  -.08431635   .78921085
  C    -.03478830   .10804470   .89166854
  C    -.25957854   .20370411  1.00110410
  C    -.36674669   .04760316   .88969920
  H    -.30628012   .28534134  1.06611221
  H    -.51086625  -.01345570   .85303174
  Se    .07534845  -.06648439   .67875907
  Se    .33159492   .30349202   .94720532
  C     .09918911   .11291101   .84788336
  C     .26341730   .09998387   .65940618
  C     .37146640   .25492525   .77197260
  H     .27753742   .05610979   .55642516
  H     .48821970   .35465436   .77514670
  Se    .00921825   .70824290  -.05920800
  Se    .26638481  1.08431635   .21078915
  C     .03478830   .89195530   .10833146
  C     .25957854   .79629589  -.00110410
  C     .36674669   .95239684   .11030080
  H     .30628012   .71465866  -.06611221
  H     .51086625  1.01345570   .14696826
  Se   -.07534845  1.06648439   .32124093
  Se   -.33159492   .69650798   .05279468
  C    -.09918911   .88708899   .15211664
  C    -.26341730   .90001613   .34059382
  C    -.37146640   .74507475   .22802740
  H    -.27753742   .94389021   .44357484
  H    -.48821970   .64534564   .22485330
