data_[Ba2Nd6Pa4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  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 [16.0914]
_cell_length_b [3.6319]
_cell_length_c [7.3333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNd3(PaN3)2]
_chemical_formula_sum '[Ba2 Nd6 Pa4 N12]'
_cell_volume [419.6004]
_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  2  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1708  0.0000  0.8410  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  4  0.1695  0.0000  0.3374  1
  N  N4  4  0.0322  0.0000  0.2957  1
  N  N5  4  0.1756  0.5000  0.5682  1
  N  N6  4  0.1770  0.5000  0.1221  1
]