data_[Li12Ta3Nb9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2087]
_cell_length_b [6.2087]
_cell_length_c [15.2827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4TaNb3N8]
_chemical_formula_sum '[Li12 Ta3 Nb9 N24]'
_cell_volume [510.1923]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Li  Li1  3  -0.0000  -0.0000  0.5000  1.0
  Ta  Ta2  3  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  9  0.0000  0.5000  0.0000  1.0
  N  N4  18  0.0022  0.5011  0.7403  1.0
  N  N5  6  0.0000  0.0000  0.2594  1.0
]