data_[Np1U2Ru9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9902]
_cell_length_b [3.9902]
_cell_length_c [11.9719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NpU2Ru9]
_chemical_formula_sum '[Np1 U2 Ru9]'
_cell_volume [190.6162]
_cell_formula_units_Z [1]
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
[
  Np  Np0  1  0.0000  0.0000  0.0000  1
  U  U1  2  0.0000  0.0000  0.3331  1
  Ru  Ru2  4  0.0000  0.5000  0.1635  1
  Ru  Ru3  2  0.0000  0.5000  0.5000  1
  Ru  Ru4  2  0.5000  0.5000  0.3323  1
  Ru  Ru5  1  0.5000  0.5000  0.0000  1
]