data_[Ba4Dy2U2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4574]
_cell_length_b [7.8486]
_cell_length_c [13.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2DyUSe6]
_chemical_formula_sum '[Ba4 Dy2 U2 Se12]'
_cell_volume [632.2221]
_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  0.2289  0.5723  0.7506  1
  Dy  Dy1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.1462  0.7049  0.4537  1
  Se  Se4  4  0.2531  0.1961  0.4549  1
  Se  Se5  4  0.3337  0.5171  0.2458  1
]