data_[K8H12C4N16O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7109]
_cell_length_b [17.1787]
_cell_length_c [5.9986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2H3CN4O5]
_chemical_formula_sum '[K8 H12 C4 N16 O20]'
_cell_volume [662.6132]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  K  K0  4  0.0893  0.6727  0.4762  1
  K  K1  4  0.4717  0.6094  0.0836  1
  H  H2  4  0.0773  0.5456  0.8211  1
  H  H3  4  0.3991  0.2301  0.0094  1
  H  H4  4  0.4556  0.1475  0.9360  1
  C  C5  4  0.0487  0.0235  0.6128  1
  N  N6  4  0.0886  0.1536  0.5350  1
  N  N7  4  0.1724  0.0858  0.5568  1
  N  N8  4  0.1794  0.5303  0.2786  1
  N  N9  4  0.2518  0.0004  0.9834  1
  O  O10  4  0.0868  0.6701  0.9288  1
  O  O11  4  0.1839  0.2095  0.4619  1
  O  O12  4  0.2179  0.0712  0.0288  1
  O  O13  4  0.3622  0.5428  0.6482  1
  O  O14  4  0.4826  0.6961  0.4900  1
]