data_[K2Hg3C8N8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  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 [P-1]
_cell_length_a [3.8775]
_cell_length_b [10.4710]
_cell_length_c [10.6644]
_cell_angle_alpha [91.9644]
_cell_angle_beta [95.3450]
_cell_angle_gamma [95.0849]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2Hg3C8(NO)8]
_chemical_formula_sum '[K2 Hg3 C8 N8 O8]'
_cell_volume [429.0088]
_cell_formula_units_Z [1]
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  2  0.2084  0.4892  0.7916  1
  Hg  Hg1  2  0.2689  0.8843  0.6070  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  C  C3  2  0.2161  0.2298  0.1987  1
  C  C4  2  0.2184  0.1561  0.6774  1
  C  C5  2  0.2981  0.6343  0.4795  1
  C  C6  2  0.2997  0.7472  0.0489  1
  N  N7  2  0.1909  0.1210  0.2340  1
  N  N8  2  0.2181  0.6822  0.5764  1
  N  N9  2  0.3098  0.0864  0.5958  1
  N  N10  2  0.3449  0.8604  0.0310  1
  O  O11  2  0.1288  0.2301  0.7528  1
  O  O12  2  0.2391  0.3376  0.1613  1
  O  O13  2  0.2817  0.6341  0.0664  1
  O  O14  2  0.3688  0.5798  0.3855  1
]