data_[Ba3U9Ag12S36]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.1708]
_cell_length_b [14.1708]
_cell_length_c [9.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaU3(AgS3)4]
_chemical_formula_sum '[Ba3 U9 Ag12 S36]'
_cell_volume [1677.7386]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.0000  1
  U  U1  9  0.0000  0.5668  0.0000  1
  Ag  Ag2  9  0.0000  0.4171  0.5000  1
  Ag  Ag3  3  0.0000  0.0000  0.5000  1
  S  S4  18  0.0675  0.2163  0.1904  1
  S  S5  9  0.0000  0.6003  0.5000  1
  S  S6  9  0.0000  0.8300  0.5000  1
]