data_[Ba4Na2Np2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1234]
_cell_length_b [7.5636]
_cell_length_c [12.4082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2NaNpS6]
_chemical_formula_sum '[Ba4 Na2 Np2 S12]'
_cell_volume [551.1420]
_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
[
  Ba  Ba0  4  0.2708  0.0707  0.2521  1
  Na  Na1  2  0.5000  0.0000  0.0000  1
  Np  Np2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1520  0.0200  0.7357  1
  S  S4  4  0.2237  0.7209  0.5449  1
  S  S5  4  0.3267  0.1817  0.5408  1
]