data_[Na4Np4Fe2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6215]
_cell_length_b [11.5165]
_cell_length_c [7.0992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Np2FeS6]
_chemical_formula_sum '[Na4 Np4 Fe2 S12]'
_cell_volume [515.4475]
_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  0.0000  0.1655  0.0000  1
  Np  Np1  4  0.0000  0.3356  0.5000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2286  0.1620  0.7131  1
  S  S4  4  0.2408  0.0000  0.2880  1
]