# annulene18F6 cryst optimized by PBE-D3paw900, SG=P63/m:937
data_nolabel
_cell_length_a     12.02795191
_cell_length_b     12.02795191
_cell_length_c      6.72066551
_cell_angle_alpha   90
_cell_angle_beta    90
_cell_angle_gamma  120
_cell_formula_units_Z  2
_symmetry_space_group_name_H-M  'P63/m:937'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-y,x-y,z'
'-x+y,-x,z'
'-x+2/3,-y+1/3,z+1/2'
'y+2/3,-x+y+1/3,z+1/2'
'x-y+2/3,x+1/3,z+1/2'
'-x+2/3,-y+1/3,-z+1/2'
'y+2/3,-x+y+1/3,-z+1/2'
'x-y+2/3,x+1/3,-z+1/2'
'x,y,-z'
'-y,x-y,-z'
'-x+y,-x,-z'
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  C     .34190946   .07018869  -.00000000
  C     .28578175   .14630109  -.00000000
  C     .34484826   .27973211  -.00000000
  C     .27699473   .34697211  -.00000000
  C     .14347306   .28665814  -.00000000
  C     .06571165   .34104696  -.00000000
  C    -.07018869   .27172078  -.00000000
  C    -.14630109   .13948066  -.00000000
  C    -.27973211   .06511615  -.00000000
  C    -.34697211  -.06997738  -.00000000
  C    -.28665814  -.14318509  -.00000000
  C    -.34104696  -.27533530  -.00000000
  C    -.27172078  -.34190946  -.00000000
  C    -.13948066  -.28578175  -.00000000
  C    -.06511615  -.34484826  -.00000000
  C     .06997738  -.27699473  -.00000000
  C     .14318509  -.14347306  -.00000000
  C     .27533530  -.06571165  -.00000000
  F     .47262286   .12856339  -.00000000
  H     .18141286   .09175769  -.00000000
  H     .44937705   .33609805  -.00000000
  H     .33253707   .45149200  -.00000000
  H     .09012946   .18225674  -.00000000
  F     .12141737   .47124273  -.00000000
  F    -.12856339   .34405948  -.00000000
  H    -.09175769   .08965517  -.00000000
  H    -.33609805   .11327900  -.00000000
  H    -.45149200  -.11895493  -.00000000
  H    -.18225674  -.09212728  -.00000000
  F    -.47124273  -.34982537  -.00000000
  F    -.34405948  -.47262286  -.00000000
  H    -.08965517  -.18141286  -.00000000
  H    -.11327900  -.44937705  -.00000000
  H     .11895493  -.33253707  -.00000000
  H     .09212728  -.09012946  -.00000000
  F     .34982537  -.12141737  -.00000000
