data_[Np2Pa2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7043]
_cell_length_b [3.4414]
_cell_length_c [7.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpPaRu4]
_chemical_formula_sum '[Np2 Pa2 Ru8]'
_cell_volume [216.1250]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  4  0.1452  0.5000  0.3550  1
  Ru  Ru3  4  0.2156  0.5000  0.8470  1
]