# BTBT-tBu1 crystal [Schweicher15] with disorder removed
data_nolabel
_journal_paper_doi               10.1039/b809486a
_diffrn_ambient_temperature      90
_cell_length_a                   6.0647(6)
_cell_length_b                   7.6971(6)
_cell_length_c                  30.801(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_symmetry_space_group_name_H-M  'P212121'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1-x,y-1/2,-z+1/2
1-x+1/2,1-y,z+1/2
x-1/2,-y+1/2,1-z
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_label
_atom_site_description
 S    1.0323(5)    0.3743(4)    0.28018(11)  0.0487(9)  S1      001
 C    0.8599(15)   0.4367(6)    0.3230(4)    0.040(2)   C1      002
 C    0.9016(18)   0.4188(9)    0.3657(5)    0.043(2)   C2      003
 C    0.7396(19)   0.4779(10)   0.3966(4)    0.045(3)   C3      004
 C    0.547(2)     0.5507(10)   0.3812(4)    0.051(3)   C4      005
 C    0.5021(18)   0.5698(9)    0.3393(4)    0.043(2)   C5      006
 C    0.6629(18)   0.5113(8)    0.3069(4)    0.045(2)   C6      007
 C    0.6566(19)   0.5159(8)    0.2612(4)    0.046(2)   C7      008
 S    0.4653(5)    0.5895(4)    0.22329(11)  0.0466(9)  S2      009
 C    0.6435(19)   0.5249(8)    0.1818(4)    0.045(2)   C10     010
 C    0.597(2)     0.5445(9)    0.1366(5)    0.050(3)   C11     011
 C    0.739(2)     0.4928(10)   0.1065(4)    0.049(2)   C12     012
 C    0.949(2)     0.4135(10)   0.1226(4)    0.048(3)   C13     013
 C    0.991(2)     0.3958(9)    0.1648(4)    0.043(2)   C14     014
 C    0.8433(19)   0.4495(8)    0.1955(4)    0.044(2)   C9      015
 C    0.8377(19)   0.4492(8)    0.2416(4)    0.046(2)   C8      016
 H    1.0358       0.3681       0.3754       0.052      H2      017
 H    0.7647       0.4668       0.4269       0.054      H3      018
 H    0.4412       0.5895       0.4017       0.061      H4      019
 H    0.3669       0.6208       0.3304       0.052      H5      020
 H    0.4620       0.5959       0.1279       0.060      H11     021
 C    0.700(2)     0.5099(11)   0.0582(5)    0.051(3)   C15     022
 H    1.0554       0.3747       0.1022       0.058      H13     023

