data_[Li8Cu4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.9839]
_cell_length_b [4.9452]
_cell_length_c [5.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Li2CuN]
_chemical_formula_sum '[Li8 Cu4 N4]'
_cell_volume [178.8350]
_cell_formula_units_Z [4]
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  0.0652  0.6397  0.7500  1.0
  Li  Li1  4  0.3785  0.7500  0.0000  1.0
  Cu  Cu2  4  0.2465  0.2500  0.0000  1.0
  N  N3  4  0.2312  0.5224  0.2500  1.0
]