data_[Np2Al16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [6.2580]
_cell_length_b [6.2580]
_cell_length_c [11.3019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [Np(Al4C3)2]
_chemical_formula_sum '[Np2 Al16 C12]'
_cell_volume [383.3103]
_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
[
  Np  Np0  2  0.0000  0.0000  0.4971  1
  Al  Al1  6  0.0000  0.2953  0.2737  1
  Al  Al2  6  0.0000  0.4243  0.6136  1
  Al  Al3  4  0.3333  0.6667  0.4093  1
  C  C4  6  0.0000  0.3802  0.4429  1
  C  C5  4  0.3333  0.6667  0.2133  1
  C  C6  2  0.0000  0.0000  0.2126  1
]