data_[Li48Cu16N32]
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 [Ia-3]
_cell_length_a [9.6321]
_cell_length_b [9.6321]
_cell_length_c [9.6321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [206]
_chemical_formula_structural [Li3CuN2]
_chemical_formula_sum '[Li48 Cu16 N32]'
_cell_volume [893.6335]
_cell_formula_units_Z [16]
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  48  0.1128  0.1325  0.8745  1
  Cu  Cu1  16  0.1283  0.1283  0.1283  1
  N  N2  24  0.0000  0.2500  0.0210  1
  N  N3  8  0.2500  0.2500  0.2500  1
]