data_[Na8U8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmce]
_cell_length_a [14.1387]
_cell_length_b [7.4663]
_cell_length_c [7.4949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Na2U2S5]
_chemical_formula_sum '[Na8 U8 S20]'
_cell_volume [791.1932]
_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
[
  Na  Na0  8  0.2045  0.0000  0.0000  1
  U  U1  8  0.0000  0.1600  0.6605  1
  S  S2  16  0.1234  0.1477  0.3534  1
  S  S3  4  0.0000  0.0000  0.0000  1
]