data_[Cd8Hg10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9347]
_cell_length_b [3.9690]
_cell_length_c [12.0072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4Hg5N2]
_chemical_formula_sum '[Cd8 Hg10 N4]'
_cell_volume [517.9282]
_cell_formula_units_Z [2]
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
[
  Cd  Cd0  4  0.0168  0.5000  0.6365  1
  Cd  Cd1  4  0.2374  0.0000  0.5982  1
  Hg  Hg2  4  0.0420  0.0000  0.2083  1
  Hg  Hg3  4  0.2419  0.5000  0.8876  1
  Hg  Hg4  2  0.0000  0.5000  0.0000  1
  N  N5  4  0.1529  0.5000  0.5508  1
]