data_[Li8Re8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0267]
_cell_length_b [11.8865]
_cell_length_c [5.0581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiReN2]
_chemical_formula_sum '[Li8 Re8 N16]'
_cell_volume [299.7636]
_cell_formula_units_Z [8]
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  0.3316  0.2500  1
  Li  Li1  4  0.0000  0.4487  0.7500  1
  Re  Re2  4  0.0000  0.0858  0.2500  1
  Re  Re3  4  0.0000  0.1981  0.7500  1
  N  N4  8  0.2098  0.0582  0.7292  1
  N  N5  8  0.2422  0.3113  0.7389  1
]