data_[Ce10Hg4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [12.4449]
_cell_length_b [5.2669]
_cell_length_c [6.8459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5(HgN)2]
_chemical_formula_sum '[Ce10 Hg4 N4]'
_cell_volume [442.5557]
_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
[
  Ce  Ce0  4  0.1484  0.0000  0.5614  1
  Ce  Ce1  4  0.1741  0.5000  0.8871  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0803  0.5000  0.3149  1
  N  N4  4  0.1694  0.0000  0.8929  1
]