data_[Ba2Na4U2S8]
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
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.7177]
_cell_length_b [5.7177]
_cell_length_c [13.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BaNa2US4]
_chemical_formula_sum '[Ba2 Na4 U2 S8]'
_cell_volume [437.9746]
_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  2  0.0000  0.0000  0.5000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Na  Na2  2  0.0000  0.5000  0.7500  1
  U  U3  2  0.0000  0.5000  0.2500  1
  S  S4  4  0.0000  0.0000  0.2541  1
  S  S5  4  0.0000  0.5000  0.0545  1
]