data_[Li16Au2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5614]
_cell_length_b [9.9864]
_cell_length_c [3.9689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8AuN2]
_chemical_formula_sum '[Li16 Au2 N4]'
_cell_volume [257.5380]
_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  0.1914  0.1508  0.0544  1.0
  Li  Li1  4  0.0000  0.2766  0.5000  1.0
  Li  Li2  4  0.0963  0.5000  0.2360  1.0
  Au  Au3  2  0.0000  0.0000  0.5000  1.0
  N  N4  4  0.0000  0.3223  0.0000  1.0
]