data_[La6Np3H36Ru9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Np  1.3600  1.7500  1.0000
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4861]
_cell_length_b [6.4861]
_cell_length_c [14.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Np(H4Ru)3]
_chemical_formula_sum '[La6 Np3 H36 Ru9]'
_cell_volume [535.2737]
_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
[
  La  La0  6  0.0000  0.0000  0.3862  1
  Np  Np1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0384  0.5192  0.3846  1
  H  H3  18  0.0437  0.5218  0.8145  1
  Ru  Ru4  9  0.0000  0.5000  0.5000  1
]