data_[Ba4Pa8Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7679]
_cell_length_b [6.7679]
_cell_length_c [11.6072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [BaPa2TiN5]
_chemical_formula_sum '[Ba4 Pa8 Ti4 N20]'
_cell_volume [531.6593]
_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  0.0000  0.2500  1
  Pa  Pa1  8  0.1805  0.3195  0.0000  1
  Ti  Ti2  4  0.0000  0.5000  0.2500  1
  N  N3  16  0.1428  0.3572  0.6294  1
  N  N4  4  0.0000  0.0000  0.0000  1
]