data_[Li16Hg2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [6.5954]
_cell_length_b [10.1282]
_cell_length_c [4.0829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8HgN2]
_chemical_formula_sum '[Li16 Hg2 N4]'
_cell_volume [270.6637]
_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
[
  Li  Li0  8  0.1927  0.1526  0.0518  1.0
  Li  Li1  4  0.0000  0.2834  0.5000  1.0
  Li  Li2  4  0.0912  0.5000  0.2272  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  N  N4  4  0.0000  0.3209  0.0000  1.0
]