data_[Ba8Li12Nb4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3375]
_cell_length_b [5.7180]
_cell_length_c [11.1328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2Li3NbN4]
_chemical_formula_sum '[Ba8 Li12 Nb4 N16]'
_cell_volume [632.4410]
_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
[
  Ba  Ba0  8  0.1521  0.2195  0.1108  1.0
  Li  Li1  8  0.1780  0.7094  0.0446  1.0
  Li  Li2  4  0.0000  0.3861  0.2500  1.0
  Nb  Nb3  4  0.0000  0.1362  0.7500  1.0
  N  N4  8  0.0783  0.3404  0.6628  1.0
  N  N5  8  0.1384  0.0707  0.3884  1.0
]