data_[Pr8Np4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Np  1.3600  1.7500  1.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1989]
_cell_length_b [6.1066]
_cell_length_c [7.9010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2NpRu2]
_chemical_formula_sum '[Pr8 Np4 Ru8]'
_cell_volume [485.5839]
_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
[
  Pr  Pr0  8  0.1512  0.3774  0.6520  1
  Np  Np1  4  0.0000  0.1242  0.2500  1
  Ru  Ru2  8  0.1221  0.1262  0.0129  1
]