data_[Ba8Np4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1667]
_cell_length_b [18.1437]
_cell_length_c [12.8792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2NpAgS5]
_chemical_formula_sum '[Ba8 Np4 Ag4 S20]'
_cell_volume [973.6657]
_cell_formula_units_Z [4]
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  0.0000  0.1098  0.6917  1
  Ba  Ba1  4  0.0000  0.1219  0.3150  1
  Np  Np2  4  0.0000  0.2055  0.0179  1
  Ag  Ag3  4  0.0000  0.4382  0.4392  1
  S  S4  4  0.0000  0.0681  0.0504  1
  S  S5  4  0.0000  0.2871  0.6516  1
  S  S6  4  0.0000  0.2985  0.3816  1
  S  S7  4  0.0000  0.3472  0.0067  1
  S  S8  4  0.0000  0.4979  0.7698  1
]