data_[Ba2U4Se14]
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 [Cmmm]
_cell_length_a [8.5285]
_cell_length_b [13.3262]
_cell_length_c [5.3757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaU2Se7]
_chemical_formula_sum '[Ba2 U4 Se14]'
_cell_volume [610.9615]
_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  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.0000  0.2973  0.5000  1
  Se  Se2  8  0.1914  0.1264  0.5000  1
  Se  Se3  4  0.0000  0.2877  0.0000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
]