data_[Ba4Tb8Ta4N16]
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
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5203]
_cell_length_b [12.6652]
_cell_length_c [12.1861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaTb2TaN4]
_chemical_formula_sum '[Ba4 Tb8 Ta4 N16]'
_cell_volume [543.3220]
_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  0.0000  0.0885  0.7500  1
  Tb  Tb1  8  0.0000  0.3718  0.5344  1
  Ta  Ta2  4  0.0000  0.1734  0.2500  1
  N  N3  8  0.0000  0.2558  0.1168  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4082  0.7500  1
]