data_[Li12Hg4N2]
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 [Amm2]
_cell_length_a [3.3730]
_cell_length_b [12.2143]
_cell_length_c [6.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6Hg2N]
_chemical_formula_sum '[Li12 Hg4 N2]'
_cell_volume [264.0051]
_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  4  0.0000  0.0930  0.8976  1.0
  Li  Li1  4  0.5000  0.1501  0.1590  1.0
  Li  Li2  2  0.0000  0.0000  0.2193  1.0
  Li  Li3  2  0.5000  0.0000  0.6576  1.0
  Hg  Hg4  4  0.0000  0.1808  0.5044  1.0
  N  N5  2  0.5000  0.0000  0.0012  1.0
]