data_[Np2Sc4B4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5838]
_cell_length_b [9.5838]
_cell_length_c [3.1037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [NpSc2B2Ru5]
_chemical_formula_sum '[Np2 Sc4 B4 Ru10]'
_cell_volume [285.0760]
_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
[
  Sc  Sc0  4  0.1704  0.3296  0.0000  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1203  0.6203  0.0000  1
  Ru  Ru3  8  0.0739  0.7816  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]