data_[Na4Y4U4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1078]
_cell_length_b [8.2101]
_cell_length_c [11.4662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaYUS4]
_chemical_formula_sum '[Na4 Y4 U4 S16]'
_cell_volume [763.2603]
_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  4  0.0000  0.2500  0.6295  1
  Y  Y1  4  0.2500  0.2500  0.2500  1
  U  U2  4  0.0000  0.0000  0.0000  1
  S  S3  8  0.0000  0.0243  0.2341  1
  S  S4  8  0.2205  0.2500  0.0098  1
]