data_[Ba2U2Ag2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4145]
_cell_length_b [5.9096]
_cell_length_c [9.3070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaUAgSe4]
_chemical_formula_sum '[Ba2 U2 Ag2 Se8]'
_cell_volume [382.8363]
_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  0.2585  0.2500  0.0544  1
  U  U1  2  0.2707  0.2500  0.5578  1
  Ag  Ag2  2  0.2466  0.7500  0.2994  1
  Se  Se3  4  0.0402  0.5167  0.7099  1
  Se  Se4  2  0.4426  0.7500  0.5936  1
  Se  Se5  2  0.4561  0.7500  0.1342  1
]