data_[Np2Al22Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1602]
_cell_length_b [12.5412]
_cell_length_c [7.0300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpAl11Fe]
_chemical_formula_sum '[Np2 Al22 Fe2]'
_cell_volume [426.9054]
_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  0.0000  1
  Al  Al1  8  0.1046  0.6053  0.2251  1
  Al  Al2  8  0.1945  0.1707  0.3605  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Fe  Fe5  2  0.0000  0.5000  0.5000  1
]