data_[Li6Ta4Nb2N12]
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 [C2/m]
_cell_length_a [5.3682]
_cell_length_b [9.2980]
_cell_length_c [5.3966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ta2NbN6]
_chemical_formula_sum '[Li6 Ta4 Nb2 N12]'
_cell_volume [254.1239]
_cell_formula_units_Z [2]
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  0.1659  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta2  4  0.0000  0.3333  0.0000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2411  0.1678  0.2198  1.0
  N  N5  4  0.2377  0.5000  0.2200  1.0
]