data_[Rb12Pa9Fe3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9845]
_cell_length_b [6.9845]
_cell_length_c [20.1516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Pa3FeN8]
_chemical_formula_sum '[Rb12 Pa9 Fe3 N24]'
_cell_volume [851.3656]
_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
[
  Rb  Rb0  9  0.0000  0.5000  0.5000  1
  Rb  Rb1  3  -0.0000  -0.0000  0.5000  1
  Pa  Pa2  9  0.0000  0.5000  0.0000  1
  Fe  Fe3  3  -0.0000  -0.0000  0.0000  1
  N  N4  18  0.0145  0.5072  0.7184  1
  N  N5  6  0.0000  0.0000  0.2809  1
]