data_[Ba4Np2U2S12]
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
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2585]
_cell_length_b [7.4786]
_cell_length_c [12.6567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2NpUS6]
_chemical_formula_sum '[Ba4 Np2 U2 S12]'
_cell_volume [563.4522]
_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  0.2349  0.5565  0.7500  1
  Np  Np1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1595  0.7101  0.4554  1
  S  S4  4  0.2477  0.2050  0.4567  1
  S  S5  4  0.3302  0.5203  0.2474  1
]