data_[Nd4Np4Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Np  1.3600  1.7500  1.0000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9788]
_cell_length_b [16.6183]
_cell_length_c [3.9833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [NdNpSi4]
_chemical_formula_sum '[Nd4 Np4 Si16]'
_cell_volume [461.9651]
_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
[
  Nd  Nd0  4  0.0920  0.1847  0.0000  1
  Np  Np1  4  0.0833  0.4372  0.0000  1
  Si  Si2  4  0.0736  0.6828  0.5000  1
  Si  Si3  4  0.0896  0.9308  0.5000  1
  Si  Si4  4  0.2251  0.5520  0.5000  1
  Si  Si5  4  0.2440  0.8083  0.5000  1
]