data_[Cs4Th4U4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.6152]
_cell_length_b [8.7974]
_cell_length_c [12.3325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsThUS4]
_chemical_formula_sum '[Cs4 Th4 U4 S16]'
_cell_volume [934.6938]
_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
[
  Cs  Cs0  4  0.0000  0.2500  0.6320  1
  Th  Th1  4  0.0000  0.0000  0.0000  1
  U  U2  4  0.2500  0.2500  0.2500  1
  S  S3  8  0.0000  0.0510  0.2253  1
  S  S4  8  0.2043  0.2500  0.0234  1
]