################################################################################
#                                                                              #
#                          Uploaded cif edited by                              #
#                                   SAINT                                      #
#    Surface and Interface Toolkit for the Materials Chemistry Community       #
#                           saint.chem.ucl.ac.uk                               #
#                                                                              #
################################################################################
data_input

_audit_creation_method             'Generated using SAINT'

_cell_length_a           5.589000
_cell_length_b           5.589000
_cell_length_c           4.694700
_cell_angle_alpha       90.000000
_cell_angle_beta        90.000000
_cell_angle_gamma       90.000000

_symmetry_space_group_name_H-M     'P -4 21 m'
_symmetry_Int_Tables_number              113

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   '  x,y,z '
   2   '  y,-x,-z '
   3   '  1/2+x,1/2-y,-z '
   4   '  -x,-y,z '
   5   '  1/2-y,1/2-x,z '
   6   '  -y,x,-z '
   7   '  1/2-x,1/2+y,-z '
   8   '  1/2+y,1/2+x,z '

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C    C1         0.00000000      0.50000000      0.32830000
O    O1         0.00000000      0.50000000      0.59630000
N    N1         0.14470000      0.64470000      0.17840000
H    H1         0.25520000      0.75520000      0.28450000
H    H2         0.14280000      0.64280000     -0.03390000
