data_[U18Tl3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.0416]
_cell_length_b [11.0416]
_cell_length_c [12.1519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [U6TlS8]
_chemical_formula_sum '[U18 Tl3 S24]'
_cell_volume [1283.0247]
_cell_formula_units_Z [3]
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
[
  U  U0  18  0.0412  0.1982  0.4348  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  S  S2  18  0.0057  0.3186  0.6194  1
  S  S3  6  0.0000  0.0000  0.2872  1
]