data_[Na12Nb9Mo3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2322]
_cell_length_b [6.2322]
_cell_length_c [17.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4Nb3MoN8]
_chemical_formula_sum '[Na12 Nb9 Mo3 N24]'
_cell_volume [577.4731]
_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
[
  Na  Na0  9  0.0000  0.5000  0.0000  1.0
  Na  Na1  3  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  9  0.0000  0.5000  0.5000  1.0
  Mo  Mo3  3  -0.0000  -0.0000  0.5000  1.0
  N  N4  18  0.0048  0.5024  0.2326  1.0
  N  N5  6  0.0000  0.0000  0.2325  1.0
]