data_[Li9Pa9Ru3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R-3m]
_cell_length_a [6.8086]
_cell_length_b [6.8086]
_cell_length_c [14.9861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3Pa3RuN8]
_chemical_formula_sum '[Li9 Pa9 Ru3 N24]'
_cell_volume [601.6457]
_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
[
  Li  Li0  9  0.0000  0.5000  0.5000  1
  Pa  Pa1  9  0.0000  0.5000  0.0000  1
  Ru  Ru2  3  -0.0000  -0.0000  0.0000  1
  N  N3  18  0.0228  0.5114  0.7353  1
  N  N4  6  0.0000  0.0000  0.2588  1
]