data_[Np4Sn8Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4037]
_cell_length_b [4.5461]
_cell_length_c [16.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Np4Sn8Ru]
_chemical_formula_sum '[Np4 Sn8 Ru1]'
_cell_volume [328.1476]
_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  0.0823  1
  Np  Np1  1  0.0000  0.5000  0.6086  1
  Np  Np2  1  0.5000  0.0000  0.9111  1
  Np  Np3  1  0.5000  0.5000  0.3899  1
  Sn  Sn4  1  0.0000  0.0000  0.4643  1
  Sn  Sn5  1  0.0000  0.0000  0.7572  1
  Sn  Sn6  1  0.0000  0.5000  0.2236  1
  Sn  Sn7  1  0.0000  0.5000  0.9284  1
  Sn  Sn8  1  0.5000  0.0000  0.2208  1
  Sn  Sn9  1  0.5000  0.0000  0.5863  1
  Sn  Sn10  1  0.5000  0.5000  0.0618  1
  Sn  Sn11  1  0.5000  0.5000  0.7618  1
  Ru  Ru12  1  0.0000  0.0000  0.3070  1
]