data_[Np4Sn4Ru4]
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 [C2/m]
_cell_length_a [11.7987]
_cell_length_b [4.4895]
_cell_length_c [4.6038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpSnRu]
_chemical_formula_sum '[Np4 Sn4 Ru4]'
_cell_volume [242.0541]
_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
[
  Np  Np0  4  0.0912  0.0000  0.2124  1
  Sn  Sn1  4  0.1120  0.5000  0.7309  1
  Ru  Ru2  4  0.2454  0.0000  0.7225  1
]