# ICZbCl2c cryst optimized by PBE-D3paw900
data_nolabel
_cell_length_a     14.75825362
_cell_length_b      5.83301094
_cell_length_c      7.81411686
_cell_angle_alpha   90
_cell_angle_beta   100.29193066
_cell_angle_gamma   90
_cell_formula_units_Z  2
_symmetry_space_group_name_H-M   P21/c
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
x,-y+1/2,z+1/2
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  C     .34146227  -.14360212   .28600404
  C     .35283165   .06713904   .37476558
  C     .25819413  -.20674447   .18291708
  C     .18441002  -.05234136   .16927607
  C     .28004313   .22121512   .36312014
  C     .19618931   .16091565   .25987481
  C     .09097885  -.05567926   .07373516
  N     .11493936   .28424218   .22133145
  C     .04968513   .15795834   .11074164
  C     .04075237  -.21607584  -.03887080
  C    -.04968513  -.15795834  -.11074164
  C    -.09097885   .05567926  -.07373516
  C    -.04075237   .21607584   .03887080
  N    -.11493936  -.28424218  -.22133145
  C    -.19618931  -.16091565  -.25987481
  C    -.18441002   .05234136  -.16927607
  C    -.28004313  -.22121512  -.36312014
  C    -.35283165  -.06713904  -.37476558
  C    -.34146227   .14360212  -.28600404
  C    -.25819413   .20674447  -.18291708
  H     .28942988   .38430457   .43161053
  H     .41917682   .10993854   .45334526
  Cl    .43456406  -.33011900   .30798165
  H     .25167520  -.36978891   .11389222
  H     .07092569  -.37880912  -.06765719
  H    -.07092569   .37880912   .06765719
  H    -.10194292  -.43347300  -.27968047
  H     .10194292   .43347300   .27968047
  H    -.25167520   .36978891  -.11389222
  Cl   -.43456406   .33011900  -.30798165
  H    -.28942988  -.38430457  -.43161053
  H    -.41917682  -.10993854  -.45334526
