data_[Ce4Np4Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Np  1.3600  1.7500  1.0000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9428]
_cell_length_b [16.5603]
_cell_length_c [3.9428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [CeNpSi4]
_chemical_formula_sum '[Ce4 Np4 Si16]'
_cell_volume [453.3254]
_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
[
  Ce  Ce0  4  0.0899  0.1846  0.0000  1
  Np  Np1  4  0.0853  0.4369  0.0000  1
  Si  Si2  4  0.0762  0.6839  0.5000  1
  Si  Si3  4  0.0885  0.9302  0.5000  1
  Si  Si4  4  0.2278  0.5535  0.5000  1
  Si  Si5  4  0.2458  0.8078  0.5000  1
]