# triazine cryst optimized by PBE-D3paw600
data_nolabel
_cell_length_a      6.69551932
_cell_length_b      9.52886905
_cell_length_c      7.06732612
_cell_angle_alpha   90
_cell_angle_beta   125.26354534
_cell_angle_gamma   90
_cell_formula_units_Z  4
_symmetry_space_group_name_H-M   C2/c
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,1-z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,1-z
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
  N     .20978547  -.07175878   .41065508
  C     .19920057   .06882873   .40115131
  N    -.00000000   .14487286   .25000000
  C    -.19920057   .06882873   .09884869
  N    -.20978547  -.07175878   .08934492
  C    -.00000000  -.13665888   .25000000
  H     .36646095   .12643998   .52679969
  H    -.36646095   .12643998  -.02679969
  H    -.00000000  -.25136399   .25000000
