data_[Ba6Tb2Pa4N12]
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
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3090]
_cell_length_b [10.9166]
_cell_length_c [6.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Tb(PaN3)2]
_chemical_formula_sum '[Ba6 Tb2 Pa4 N12]'
_cell_volume [444.0211]
_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
[
  Ba  Ba0  4  0.0000  0.1622  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Pa  Pa3  4  0.0000  0.3332  0.0000  1
  N  N4  8  0.2363  0.1762  0.1815  1
  N  N5  4  0.2076  0.5000  0.1778  1
]