data_[K4H16N4O4]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6078]
_cell_length_b [4.9413]
_cell_length_c [8.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KH4NO]
_chemical_formula_sum '[K4 H16 N4 O4]'
_cell_volume [315.9344]
_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  0.0952  0.0000  0.8404  1.0
  H  H1  8  0.1775  0.3303  0.3085  1.0
  H  H2  4  0.1417  0.5000  0.7401  1.0
  H  H3  4  0.1765  0.5000  0.4838  1.0
  N  N4  4  0.1289  0.5000  0.3458  1.0
  O  O5  4  0.2324  0.0000  0.2033  1.0
]