data_[Ba4Dy2U2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2229]
_cell_length_b [7.4611]
_cell_length_c [12.6210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2DyUS6]
_chemical_formula_sum '[Ba4 Dy2 U2 S12]'
_cell_volume [557.9020]
_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  4  0.2349  0.5589  0.7505  1
  Dy  Dy1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1555  0.7110  0.4562  1
  S  S4  4  0.2476  0.2010  0.4576  1
  S  S5  4  0.3267  0.5181  0.2450  1
]