data_[Ce2Hg2I2N2]
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
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1218]
_cell_length_b [4.1218]
_cell_length_c [12.8312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CeHgIN]
_chemical_formula_sum '[Ce2 Hg2 I2 N2]'
_cell_volume [217.9889]
_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  2  0.0000  0.5000  0.9189  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  I  I2  2  0.0000  0.5000  0.2366  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]