data_[Ba8U8Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4338]
_cell_length_b [7.7383]
_cell_length_c [13.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaUSe3]
_chemical_formula_sum '[Ba8 U8 Se24]'
_cell_volume [1298.4191]
_cell_formula_units_Z [8]
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  8  0.1369  0.2956  0.1324  1
  U  U1  4  0.0000  0.2387  0.7500  1
  U  U2  4  0.2500  0.2500  0.5000  1
  Se  Se3  8  0.0782  0.2636  0.5768  1
  Se  Se4  8  0.1449  0.0267  0.3360  1
  Se  Se5  8  0.1595  0.4726  0.8623  1
]