data_[Ba3Nd3Pa12N24]
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 [R3m]
_cell_length_a [7.1377]
_cell_length_b [7.1377]
_cell_length_c [17.4821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaNd(PaN2)4]
_chemical_formula_sum '[Ba3 Nd3 Pa12 N24]'
_cell_volume [771.3302]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3775  1
  Nd  Nd1  3  0.0000  0.0000  0.0008  1
  Pa  Pa2  9  0.1704  0.3408  0.8323  1
  Pa  Pa3  3  0.0000  0.0000  0.6201  1
  N  N4  9  0.0601  0.5301  0.7669  1
  N  N5  9  0.1716  0.3433  0.5739  1
  N  N6  3  0.0000  0.0000  0.2244  1
  N  N7  3  0.0000  0.0000  0.7582  1
]