data_[Ba1U1Ag2S6]
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 [P1]
_cell_length_a [6.5870]
_cell_length_b [6.6411]
_cell_length_c [7.2679]
_cell_angle_alpha [64.2605]
_cell_angle_beta [67.1538]
_cell_angle_gamma [64.8632]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaU(AgS3)2]
_chemical_formula_sum '[Ba1 U1 Ag2 S6]'
_cell_volume [251.0388]
_cell_formula_units_Z [1]
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  1  0.8197  0.7893  0.6082  1
  U  U1  1  0.3255  0.3385  0.0112  1
  Ag  Ag2  1  0.0151  0.9895  0.0091  1
  Ag  Ag3  1  0.5197  0.5238  0.4421  1
  S  S4  1  0.1850  0.3001  0.7477  1
  S  S5  1  0.2393  0.9437  0.2391  1
  S  S6  1  0.3373  0.7312  0.7179  1
  S  S7  1  0.5472  0.2696  0.2565  1
  S  S8  1  0.7374  0.1779  0.7837  1
  S  S9  1  0.9353  0.5980  0.1999  1
]