data_[Hg3H21C3N3Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3_2]
_cell_length_a [8.0087]
_cell_length_b [8.0087]
_cell_length_c [10.7827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [145]
_chemical_formula_structural [HgH7CNCl3]
_chemical_formula_sum '[Hg3 H21 C3 N3 Cl9]'
_cell_volume [598.9446]
_cell_formula_units_Z [3]
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
[
  Hg  Hg0  3  0.1187  0.7833  0.8880  1
  H  H1  3  0.0202  0.8456  0.3338  1
  H  H2  3  0.1072  0.7191  0.4266  1
  H  H3  3  0.1219  0.6621  0.2060  1
  H  H4  3  0.3635  0.2381  0.4032  1
  H  H5  3  0.3729  0.2251  0.0776  1
  H  H6  3  0.4206  0.3083  0.8563  1
  H  H7  3  0.4909  0.0371  0.6126  1
  C  C8  3  0.2968  0.2889  0.0308  1
  N  N9  3  0.4090  0.3989  0.9205  1
  Cl  Cl10  3  0.1798  0.5331  0.7421  1
  Cl  Cl11  3  0.2530  0.0656  0.7035  1
  Cl  Cl12  3  0.4588  0.1745  0.3372  1
]