data_[Ba4Tb4Nb4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  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 [13.7417]
_cell_length_b [4.0476]
_cell_length_c [7.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTbNbN3]
_chemical_formula_sum '[Ba4 Tb4 Nb4 N12]'
_cell_volume [416.4904]
_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  4  0.1491  0.5000  0.0790  1
  Tb  Tb1  4  0.1575  0.5000  0.5748  1
  Nb  Nb2  4  0.0020  0.0000  0.3035  1
  N  N3  4  0.0063  0.5000  0.3267  1
  N  N4  4  0.1491  0.0000  0.7919  1
  N  N5  4  0.1627  0.0000  0.3532  1
]