data_[Na6Np12Fe2F60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3c1]
_cell_length_a [9.9305]
_cell_length_b [9.9305]
_cell_length_c [12.9672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [Na3Np6FeF30]
_chemical_formula_sum '[Na6 Np12 Fe2 F60]'
_cell_volume [1107.4453]
_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
[
  Na  Na0  4  0.3333  0.6667  0.6581  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Np  Np2  12  0.0784  0.4020  0.8984  1
  Fe  Fe3  2  0.0000  0.0000  0.2500  1
  F  F4  12  0.0799  0.1818  0.8386  1
  F  F5  12  0.1178  0.5315  0.0504  1
  F  F6  12  0.1186  0.3113  0.5197  1
  F  F7  12  0.1298  0.4375  0.7155  1
  F  F8  12  0.1730  0.5122  0.3632  1
]