data_[U18Se3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.6033]
_cell_length_b [7.6033]
_cell_length_c [20.5214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [U6SeS8]
_chemical_formula_sum '[U18 Se3 S24]'
_cell_volume [1027.4173]
_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  0.0011  0.3427  0.9235  1
  Se  Se1  3  0.0000  0.0000  0.0000  1
  S  S2  18  0.0020  0.3275  0.1196  1
  S  S3  6  0.0000  0.0000  0.3332  1
]