data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         5.6610000000
_cell_length_b         5.6610000000
_cell_length_c         4.7120000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           151.005092
_space_group_crystal_system tetragonal
_space_group_IT_number 113
_space_group_name_H-M_alt 'P-42_1m'
_space_group_name_Hall 'P -4 2ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '-x,-y,z'
  '-y,x,-z'
  '-1/2-x,-1/2+y,-z'
  '-1/2-y,-1/2-x,z'
  '-1/2+x,-1/2-y,-z'
  '-1/2+y,-1/2+x,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C      C      0.00000000000000     0.50000000000000     0.33300000000000
O      O      0.00000000000000     0.50000000000000     0.59680000000000
N      N      0.14390000000000     0.64390000000000     0.18320000000000
H      H      0.25220000000000     0.75220000000000     0.28390000000000
H      H      0.13650000000000     0.63650000000000     0.97240000000000
