data_[Ba2U8Ru6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.6757]
_cell_length_b [9.6757]
_cell_length_c [9.6757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [BaU4(RuS4)3]
_chemical_formula_sum '[Ba2 U8 Ru6 S24]'
_cell_volume [905.8378]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  U  U1  8  0.2500  0.2500  0.2500  1
  Ru  Ru2  6  0.0000  0.0000  0.5000  1
  S  S3  24  0.0000  0.3166  0.1615  1
]