# TSF-Me cryst optimized by PBE-D3paw600
data_nolabel
_cell_length_a      6.21476254
_cell_length_b      6.77704325
_cell_length_c      7.84530730
_cell_angle_alpha  108.75137211
_cell_angle_beta   103.01950869
_cell_angle_gamma   96.04230632
_cell_formula_units_Z  1
_symmetry_space_group_name_H-M  'P-1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1-y,-z
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Se    .31805439   .76753981   .17755602
  Se    .20020187   .27869274   .12460247
  C     .10116273   .50893930   .05879872
  C     .55254782   .63756033   .27410876
  C     .50312087   .43058560   .25018523
  C     .77378700   .78595910   .37332209
  C     .66119564   .30036682   .31324289
  H     .83153185   .85886581   .28082313
  H     .76157476   .91500597   .49709644
  H     .90333707   .70309950   .42106220
  H     .65558824   .15490336   .19631001
  H     .62046885   .25483075   .42665639
  H     .83502513   .38885814   .36493213
