# TTTT cryst optimized by PBE-D3paw900
data_nolabel
_cell_length_a                  11.52425865
_cell_length_b                   3.94809664
_cell_length_c                  10.40240853
_cell_angle_alpha                90
_cell_angle_beta                104.180112
_cell_angle_gamma                90
_cell_formula_units_Z            2
_symmetry_space_group_name_H-M   P21/n
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C     .15580076   .11923826   .03918991
 S     .28940738   .28311026   .12974012
 C     .16837158  -.01044786  -.08271558
 C     .28590417   .02486367  -.10102816
 C     .03787322   .07922024   .05524232
 C    -.03787322  -.07922024  -.05524232
 S     .03535541  -.17949261  -.17778512
 C    -.15580076  -.11923826  -.03918991
 C    -.16837158   .01044786   .08271558
 S    -.03535541   .17949261   .17778512
 S    -.28940738  -.28311026  -.12974012
 C     .35992444   .18192669   .00635081
 C    -.35992444  -.18192669  -.00635081
 C    -.28590417  -.02486367   .10102816
 H    -.31472461   .06345441   .18726079
 H    -.45392576  -.24451761  -.02096802
 H     .31472461  -.06345441  -.18726079
 H     .45392576   .24451761   .02096802
