data_[Li5Hg1Ir1N2]
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
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1876]
_cell_length_b [4.1876]
_cell_length_c [7.6675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li5HgIrN2]
_chemical_formula_sum '[Li5 Hg1 Ir1 N2]'
_cell_volume [134.4591]
_cell_formula_units_Z [1]
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  0.5000  0.2138  1.0
  Li  Li1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.5000  0.5000  0.5000  1.0
  Ir  Ir3  1  0.0000  0.0000  0.0000  1.0
  N  N4  2  0.0000  0.0000  0.2447  1.0
]