data_[Cs3Na3Pa12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1661]
_cell_length_b [7.1661]
_cell_length_c [17.4277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsNa(PaN2)4]
_chemical_formula_sum '[Cs3 Na3 Pa12 N24]'
_cell_volume [775.0667]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.3745  1
  Na  Na1  3  0.0000  0.0000  0.0025  1
  Pa  Pa2  9  0.1704  0.3407  0.8332  1
  Pa  Pa3  3  0.0000  0.0000  0.6181  1
  N  N4  9  0.0081  0.5041  0.2353  1
  N  N5  9  0.0588  0.5294  0.7756  1
  N  N6  3  0.0000  0.0000  0.2228  1
  N  N7  3  0.0000  0.0000  0.7499  1
]