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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'N2O3                                 '
_cell_length_a                         4.79578
_cell_length_b                         4.79578
_cell_length_c                         13.07754
_cell_angle_alpha                      89.99923
_cell_angle_beta                       90.00078
_cell_angle_gamma                      119.99276
_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
   O1         1.0     0.306034      0.999995      0.249998     Biso  1.000000 O
   O2         1.0     0.693966      0.000005      0.750002     Biso  1.000000 O
   O3         1.0     0.999995      0.306034      0.250002     Biso  1.000000 O
   O4         1.0     0.000005      0.693966      0.749998     Biso  1.000000 O
   O5         1.0     0.693971      0.693971      0.250000     Biso  1.000000 O
   O6         1.0     0.306029      0.306029      0.750000     Biso  1.000000 O
   O7         1.0     0.972870      0.333406      0.583351     Biso  1.000000 O
   O8         1.0     0.360538      0.333415      0.083355     Biso  1.000000 O
   O9         1.0     0.666585      0.639462      0.583355     Biso  1.000000 O
   O10        1.0     0.666594      0.027131      0.083351     Biso  1.000000 O
   O11        1.0     0.360542      0.027134      0.583353     Biso  1.000000 O
   O12        1.0     0.972866      0.639458      0.083353     Biso  1.000000 O
   O13        1.0     0.639462      0.666585      0.916645     Biso  1.000000 O
   O14        1.0     0.027130      0.666594      0.416649     Biso  1.000000 O
   O15        1.0     0.333406      0.972870      0.916649     Biso  1.000000 O
   O16        1.0     0.333415      0.360538      0.416645     Biso  1.000000 O
   O17        1.0     0.027134      0.360542      0.916647     Biso  1.000000 O
   O18        1.0     0.639458      0.972866      0.416647     Biso  1.000000 O
   Al1        1.0     0.999999      0.000011      0.352284     Biso  1.000000 Al
   Al2        1.0     0.000001      0.999989      0.647716     Biso  1.000000 Al
   Al3        1.0     0.000011      0.999999      0.147716     Biso  1.000000 Al
   Al4        1.0     0.999989      0.000001      0.852284     Biso  1.000000 Al
   Al5        1.0     0.666665      0.333344      0.685702     Biso  1.000000 Al
   Al6        1.0     0.666668      0.333322      0.981243     Biso  1.000000 Al
   Al7        1.0     0.666678      0.333332      0.481243     Biso  1.000000 Al
   Al8        1.0     0.666656      0.333335      0.185702     Biso  1.000000 Al
   Al9        1.0     0.333332      0.666678      0.018757     Biso  1.000000 Al
   Al10       1.0     0.333335      0.666656      0.314298     Biso  1.000000 Al
   Al11       1.0     0.333344      0.666665      0.814298     Biso  1.000000 Al
   Al12       1.0     0.333322      0.666668      0.518757     Biso  1.000000 Al
