data_[Pa12Ru4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1990]
_cell_length_b [11.0475]
_cell_length_c [5.4567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa3RuN6]
_chemical_formula_sum '[Pa12 Ru4 N24]'
_cell_volume [554.5437]
_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
[
  Pa  Pa0  8  0.2058  0.1178  0.5166  1
  Pa  Pa1  4  0.0000  0.3891  0.4695  1
  Ru  Ru2  4  0.0000  0.1265  0.0315  1
  N  N3  8  0.1480  0.2519  0.2230  1
  N  N4  8  0.1552  0.4891  0.7445  1
  N  N5  4  0.0000  0.0127  0.3206  1
  N  N6  4  0.0000  0.2220  0.6957  1
]