# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021


#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'Ag4N20 - primitive cell'
_cell_length_a                         3.446443
_cell_length_b                         9.150446
_cell_length_c                         9.251411
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.508041
_cell_angle_gamma                      90.000000
_cell_volume                           291.745585
_space_group_name_H-M_alt              'P 21/c'
_space_group_IT_number                 14

loop_
_space_group_symop_operation_xyz
   'x, y, z'
   '-x, -y, -z'
   '-x, y+1/2, -z+1/2'
   'x, -y+1/2, z+1/2'

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
   Ag1        1.0     0.942883     0.249443     0.500832    Biso  1.000000 Ag
   N1         1.0     0.825871     0.086117     0.322518    Biso  1.000000 N
   N2         1.0     0.696318     0.956765     0.365014    Biso  1.000000 N
   N3         1.0     0.833724     0.086071     0.178515    Biso  1.000000 N
   N4         1.0     0.620338     0.877713     0.248302    Biso  1.000000 N
   N5         1.0     0.709035     0.956614     0.133420    Biso  1.000000 N
