# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_pd_phase_name                         'NPG-1'
_cell_length_a                         13.80000
_cell_length_b                         13.80000
_cell_length_c                         10.60000
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      120
_symmetry_space_group_name_H-M         'P 1'
_symmetry_Int_Tables_number            1

loop_
_symmetry_equiv_pos_as_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   C1         1.0     0.298530      0.026730      0.320750     Biso  1.000000 C
   C2         1.0     0.240780      0.084480      0.320750     Biso  1.000000 C
   C3         1.0     0.404080      0.079480      0.320750     Biso  1.000000 C
   C4         1.0     0.461830      0.194980      0.320750     Biso  1.000000 C
   C5         1.0     0.625280      0.026730      0.320750     Biso  1.000000 C
   C6         1.0     0.567530      0.411230      0.320750     Biso  1.000000 C
   C7         1.0     0.572530      0.079530      0.320750     Biso  1.000000 C
   C8         1.0     0.457030      0.021780      0.320750     Biso  1.000000 C
   C9         1.0     1.125280      0.353480      0.320750     Biso  1.000000 C
   C10        1.0     1.125280      0.026730      0.320750     Biso  1.000000 C
   C11        1.0     0.572480      0.247930      0.320750     Biso  1.000000 C
   C12        1.0     0.740780      0.084480      0.320750     Biso  1.000000 C
   C13        1.0     0.240780      0.411230      0.320750     Biso  1.000000 C
   C14        1.0     0.625280      0.353480      0.320750     Biso  1.000000 C
   C15        1.0     0.240780      0.584480      0.320750     Biso  1.000000 C
   C16        1.0     0.404080      0.579480      0.320750     Biso  1.000000 C
   C17        1.0     1.130230      0.190180      0.320750     Biso  1.000000 C
   C18        1.0     0.798530      0.526730      0.320750     Biso  1.000000 C
   C19        1.0     1.125280      0.526730      0.320750     Biso  1.000000 C
   C20        1.0     1.067530      0.411230      0.320750     Biso  1.000000 C
   C21        1.0     0.961830      0.194980      0.320750     Biso  1.000000 C
   C22        1.0     1.072530      0.079530      0.320750     Biso  1.000000 C
   C23        1.0     0.298530      0.526730      0.320750     Biso  1.000000 C
   C24        1.0     0.630230      0.190180      0.320750     Biso  1.000000 C
   C25        1.0     0.798530      0.026730      0.320750     Biso  1.000000 C
   C26        1.0     0.740780      0.411230      0.320750     Biso  1.000000 C
   C27        1.0     0.904080      0.079480      0.320750     Biso  1.000000 C
   C28        1.0     0.457030      0.521780      0.320750     Biso  1.000000 C
   C29        1.0     0.630230      0.690180      0.320750     Biso  1.000000 C
   C30        1.0     0.957030      0.021780      0.320750     Biso  1.000000 C
   C31        1.0     0.740780      0.584480      0.320750     Biso  1.000000 C
   C32        1.0     1.072480      0.247930      0.320750     Biso  1.000000 C
   C33        1.0     0.240780      0.911230      0.320750     Biso  1.000000 C
   C34        1.0     0.572480      0.747930      0.320750     Biso  1.000000 C
   C35        1.0     0.567530      0.911230      0.320750     Biso  1.000000 C
   C36        1.0     0.461830      0.694980      0.320750     Biso  1.000000 C
   C37        1.0     0.625280      0.853480      0.320750     Biso  1.000000 C
   C38        1.0     0.572530      0.579530      0.320750     Biso  1.000000 C
   C39        1.0     0.625280      0.526730      0.320750     Biso  1.000000 C
   C40        1.0     0.904080      0.579480      0.320750     Biso  1.000000 C
   C41        1.0     0.961830      0.694980      0.320750     Biso  1.000000 C
   C42        1.0     1.125280      0.853480      0.320750     Biso  1.000000 C
   C43        1.0     1.067530      0.911230      0.320750     Biso  1.000000 C
   C44        1.0     0.740780      0.911230      0.320750     Biso  1.000000 C
   C45        1.0     1.072530      0.579530      0.320750     Biso  1.000000 C
   C46        1.0     0.957030      0.521780      0.320750     Biso  1.000000 C
   C47        1.0     1.130230      0.690180      0.320750     Biso  1.000000 C
   C48        1.0     1.072480      0.747930      0.320750     Biso  1.000000 C
   C49        1.0     0.346330      0.464030      0.650960     Biso  1.000000 C
   C50        1.0     0.130080      0.358330      0.650960     Biso  1.000000 C
   C51        1.0     0.846330      0.464030      0.650960     Biso  1.000000 C
   C52        1.0     0.014580      0.300580      0.650960     Biso  1.000000 C
   C53        1.0     0.456880      0.353530      0.650960     Biso  1.000000 C
   C54        1.0     0.788580      0.521780      0.650960     Biso  1.000000 C
   C55        1.0     0.461830      0.521780      0.650960     Biso  1.000000 C
   C56        1.0     0.461830      0.195030      0.650960     Biso  1.000000 C
   C57        1.0     0.514630      0.469030      0.650960     Biso  1.000000 C
   C58        1.0     0.630080      0.358330      0.650960     Biso  1.000000 C
   C59        1.0     0.846330      0.137280      0.650960     Biso  1.000000 C
   C60        1.0     0.683030      0.468980      0.650960     Biso  1.000000 C
   C61        1.0     0.519580      0.137280      0.650960     Biso  1.000000 C
   C62        1.0     0.019580      0.637280      0.650960     Biso  1.000000 C
   C63        1.0     0.014580      0.800580      0.650960     Biso  1.000000 C
   C64        1.0     0.625280      0.526730      0.650960     Biso  1.000000 C
   C65        1.0     0.346330      0.637280      0.650960     Biso  1.000000 C
   C66        1.0     0.130080      0.858330      0.650960     Biso  1.000000 C
   C67        1.0     0.956880      0.853530      0.650960     Biso  1.000000 C
   C68        1.0     0.183030      0.968980      0.650960     Biso  1.000000 C
   C69        1.0     0.961830      0.021780      0.650960     Biso  1.000000 C
   C70        1.0     0.288580      0.021780      0.650960     Biso  1.000000 C
   C71        1.0     0.125280      0.026730      0.650960     Biso  1.000000 C
   C72        1.0     0.014630      0.469030      0.650960     Biso  1.000000 C
   C73        1.0     0.346330      0.137280      0.650960     Biso  1.000000 C
   C74        1.0     0.961830      0.521780      0.650960     Biso  1.000000 C
   C75        1.0     0.956880      0.353530      0.650960     Biso  1.000000 C
   C76        1.0     0.288580      0.521780      0.650960     Biso  1.000000 C
   C77        1.0     0.183030      0.468980      0.650960     Biso  1.000000 C
   C78        1.0     0.014630      0.969030      0.650960     Biso  1.000000 C
   C79        1.0     0.514580      0.300580      0.650960     Biso  1.000000 C
   C80        1.0     0.125280      0.526730      0.650960     Biso  1.000000 C
   C81        1.0     0.961830      0.695030      0.650960     Biso  1.000000 C
   C82        1.0     0.346330      0.964030      0.650960     Biso  1.000000 C
   C83        1.0     0.961830      0.195030      0.650960     Biso  1.000000 C
   C84        1.0     0.019580      0.137280      0.650960     Biso  1.000000 C
   C85        1.0     0.461830      0.695030      0.650960     Biso  1.000000 C
   C86        1.0     0.630080      0.858330      0.650960     Biso  1.000000 C
   C87        1.0     0.514580      0.800580      0.650960     Biso  1.000000 C
   C88        1.0     0.519580      0.637280      0.650960     Biso  1.000000 C
   C89        1.0     0.788580      0.021780      0.650960     Biso  1.000000 C
   C90        1.0     0.846330      0.637280      0.650960     Biso  1.000000 C
   C91        1.0     0.683030      0.968980      0.650960     Biso  1.000000 C
   C92        1.0     0.846330      0.964030      0.650960     Biso  1.000000 C
   C93        1.0     0.625280      0.026730      0.650960     Biso  1.000000 C
   C94        1.0     0.514630      0.969030      0.650960     Biso  1.000000 C
   C95        1.0     0.456880      0.853530      0.650960     Biso  1.000000 C
   C96        1.0     0.461830      0.021780      0.650960     Biso  1.000000 C
   C97        1.0     0.897980      0.588870      0.981260     Biso  1.000000 C
   C98        1.0     0.840230      0.973370      0.981260     Biso  1.000000 C
   C99        1.0     0.681730      0.809920      0.981260     Biso  1.000000 C
   C100       1.0     0.897980      0.088870      0.981260     Biso  1.000000 C
   C101       1.0     0.071230      0.588870      0.981260     Biso  1.000000 C
   C102       1.0     0.566280      0.920620      0.981260     Biso  1.000000 C
   C103       1.0     0.508530      0.805120      0.981260     Biso  1.000000 C
   C104       1.0     0.676930      0.978320      0.981260     Biso  1.000000 C
   C105       1.0     0.513480      0.973370      0.981260     Biso  1.000000 C
   C106       1.0     0.897980      0.915620      0.981260     Biso  1.000000 C
   C107       1.0     0.734680      0.920570      0.981260     Biso  1.000000 C
   C108       1.0     0.571230      0.088870      0.981260     Biso  1.000000 C
   C109       1.0     0.681730      0.309920      0.981260     Biso  1.000000 C
   C110       1.0     0.676930      0.478320      0.981260     Biso  1.000000 C
   C111       1.0     0.013480      0.646620      0.981260     Biso  1.000000 C
   C112       1.0     0.397980      0.415620      0.981260     Biso  1.000000 C
   C113       1.0     0.181730      0.309920      0.981260     Biso  1.000000 C
   C114       1.0     0.071230      0.088870      0.981260     Biso  1.000000 C
   C115       1.0     0.571230      0.588870      0.981260     Biso  1.000000 C
   C116       1.0     0.508530      0.305120      0.981260     Biso  1.000000 C
   C117       1.0     0.176930      0.978320      0.981260     Biso  1.000000 C
   C118       1.0     0.566230      0.752170      0.981260     Biso  1.000000 C
   C119       1.0     0.566280      0.420620      0.981260     Biso  1.000000 C
   C120       1.0     0.566230      0.252170      0.981260     Biso  1.000000 C
   C121       1.0     0.513480      0.146620      0.981260     Biso  1.000000 C
   C122       1.0     0.897980      0.415620      0.981260     Biso  1.000000 C
   C123       1.0     0.513480      0.646620      0.981260     Biso  1.000000 C
   C124       1.0     0.734680      0.420570      0.981260     Biso  1.000000 C
   C125       1.0     0.840230      0.473370      0.981260     Biso  1.000000 C
   C126       1.0     0.513480      0.473370      0.981260     Biso  1.000000 C
   C127       1.0     0.008530      0.805120      0.981260     Biso  1.000000 C
   C128       1.0     0.340230      0.973370      0.981260     Biso  1.000000 C
   C129       1.0     0.340230      0.473370      0.981260     Biso  1.000000 C
   C130       1.0     0.234680      0.920570      0.981260     Biso  1.000000 C
   C131       1.0     0.397980      0.588870      0.981260     Biso  1.000000 C
   C132       1.0     0.008530      0.305120      0.981260     Biso  1.000000 C
   C133       1.0     0.234680      0.420570      0.981260     Biso  1.000000 C
   C134       1.0     0.013480      0.973370      0.981260     Biso  1.000000 C
   C135       1.0     0.066280      0.420620      0.981260     Biso  1.000000 C
   C136       1.0     0.181730      0.809920      0.981260     Biso  1.000000 C
   C137       1.0     0.066280      0.920620      0.981260     Biso  1.000000 C
   C138       1.0     0.397980      0.915620      0.981260     Biso  1.000000 C
   C139       1.0     0.066230      0.252170      0.981260     Biso  1.000000 C
   C140       1.0     0.013480      0.473370      0.981260     Biso  1.000000 C
   C141       1.0     0.397980      0.088870      0.981260     Biso  1.000000 C
   C142       1.0     0.013480      0.146620      0.981260     Biso  1.000000 C
   C143       1.0     0.176930      0.478320      0.981260     Biso  1.000000 C
   C144       1.0     0.066230      0.752170      0.981260     Biso  1.000000 C
   H1         1.0     0.412480      0.932680      0.320750     Biso  1.000000 H
   H2         1.0     0.219330      0.734730      0.320750     Biso  1.000000 H
   H3         1.0     0.785330      0.866730      0.320750     Biso  1.000000 H
   H4         1.0     0.285330      0.866730      0.320750     Biso  1.000000 H
   H5         1.0     0.978480      0.366680      0.320750     Biso  1.000000 H
   H6         1.0     0.912480      0.432680      0.320750     Biso  1.000000 H
   H7         1.0     0.417280      0.739530      0.320750     Biso  1.000000 H
   H8         1.0     0.478480      0.866680      0.320750     Biso  1.000000 H
   H9         1.0     0.719330      0.734730      0.320750     Biso  1.000000 H
   H10        1.0     0.219330      0.234730      0.320750     Biso  1.000000 H
   H11        1.0     0.412480      0.432680      0.320750     Biso  1.000000 H
   H12        1.0     0.285330      0.366730      0.320750     Biso  1.000000 H
   H13        1.0     0.478480      0.366680      0.320750     Biso  1.000000 H
   H14        1.0     0.285280      0.173530      0.320750     Biso  1.000000 H
   H15        1.0     0.417280      0.239530      0.320750     Biso  1.000000 H
   H16        1.0     0.978480      0.866680      0.320750     Biso  1.000000 H
   H17        1.0     0.285280      0.673530      0.320750     Biso  1.000000 H
   H18        1.0     0.917280      0.739530      0.320750     Biso  1.000000 H
   H19        1.0     0.785280      0.673530      0.320750     Biso  1.000000 H
   H20        1.0     0.912480      0.932680      0.320750     Biso  1.000000 H
   H21        1.0     0.719330      0.234730      0.320750     Biso  1.000000 H
   H22        1.0     0.785280      0.173530      0.320750     Biso  1.000000 H
   H23        1.0     0.785330      0.366730      0.320750     Biso  1.000000 H
   H24        1.0     0.917280      0.239530      0.320750     Biso  1.000000 H
   H25        1.0     0.419430      0.760570      0.981260     Biso  1.000000 H
   H26        1.0     0.226280      0.265370      0.981260     Biso  1.000000 H
   H27        1.0     0.721480      0.067420      0.981260     Biso  1.000000 H
   H28        1.0     0.226280      0.765370      0.981260     Biso  1.000000 H
   H29        1.0     0.726280      0.765370      0.981260     Biso  1.000000 H
   H30        1.0     0.853480      0.133420      0.981260     Biso  1.000000 H
   H31        1.0     0.853430      0.326570      0.981260     Biso  1.000000 H
   H32        1.0     0.160280      0.633370      0.981260     Biso  1.000000 H
   H33        1.0     0.853480      0.633420      0.981260     Biso  1.000000 H
   H34        1.0     0.721480      0.567420      0.981260     Biso  1.000000 H
   H35        1.0     0.608630      0.181780      0.650960     Biso  1.000000 H
   H36        1.0     0.867780      0.308980      0.650960     Biso  1.000000 H
   H37        1.0     0.801780      0.874980      0.650960     Biso  1.000000 H
   H38        1.0     0.867780      0.808980      0.650960     Biso  1.000000 H
   H39        1.0     0.801830      0.681830      0.650960     Biso  1.000000 H
   H40        1.0     0.669830      0.615830      0.650960     Biso  1.000000 H
   H41        1.0     0.674630      0.313780      0.650960     Biso  1.000000 H
   H42        1.0     0.919430      0.260570      0.981260     Biso  1.000000 H
   H43        1.0     0.221480      0.067420      0.981260     Biso  1.000000 H
   H44        1.0     0.353480      0.133420      0.981260     Biso  1.000000 H
   H45        1.0     0.660280      0.133370      0.981260     Biso  1.000000 H
   H46        1.0     0.726280      0.265370      0.981260     Biso  1.000000 H
   H47        1.0     0.674630      0.813780      0.650960     Biso  1.000000 H
   H48        1.0     0.608630      0.681780      0.650960     Biso  1.000000 H
   H49        1.0     0.221480      0.567420      0.981260     Biso  1.000000 H
   H50        1.0     0.660280      0.633370      0.981260     Biso  1.000000 H
   H51        1.0     0.853430      0.826570      0.981260     Biso  1.000000 H
   H52        1.0     0.919430      0.760570      0.981260     Biso  1.000000 H
   H53        1.0     0.160280      0.133370      0.981260     Biso  1.000000 H
   H54        1.0     0.353430      0.826570      0.981260     Biso  1.000000 H
   H55        1.0     0.353480      0.633420      0.981260     Biso  1.000000 H
   H56        1.0     0.353430      0.326570      0.981260     Biso  1.000000 H
   H57        1.0     0.419430      0.260570      0.981260     Biso  1.000000 H
   H58        1.0     0.367780      0.808980      0.650960     Biso  1.000000 H
   H59        1.0     0.108630      0.681780      0.650960     Biso  1.000000 H
   H60        1.0     0.669830      0.115830      0.650960     Biso  1.000000 H
   H61        1.0     0.801830      0.181830      0.650960     Biso  1.000000 H
   H62        1.0     0.367780      0.308980      0.650960     Biso  1.000000 H
   H63        1.0     0.801780      0.374980      0.650960     Biso  1.000000 H
   H64        1.0     0.174630      0.813780      0.650960     Biso  1.000000 H
   H65        1.0     0.301830      0.181830      0.650960     Biso  1.000000 H
   H66        1.0     0.169830      0.615830      0.650960     Biso  1.000000 H
   H67        1.0     0.301830      0.681830      0.650960     Biso  1.000000 H
   H68        1.0     0.301780      0.374980      0.650960     Biso  1.000000 H
   H69        1.0     0.301780      0.874980      0.650960     Biso  1.000000 H
   H70        1.0     0.169830      0.115830      0.650960     Biso  1.000000 H
   H71        1.0     0.108630      0.181780      0.650960     Biso  1.000000 H
   H72        1.0     0.174630      0.313780      0.650960     Biso  1.000000 H
