data_[U4Ag8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P4_122]
_cell_length_a [8.0497]
_cell_length_b [8.0497]
_cell_length_c [11.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [U(AgSe2)2]
_chemical_formula_sum '[U4 Ag8 Se16]'
_cell_volume [754.9400]
_cell_formula_units_Z [4]
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
[
  U  U0  4  0.0000  0.2667  0.0000  1
  Ag  Ag1  4  0.2345  0.5000  0.7500  1
  Ag  Ag2  4  0.2558  0.2558  0.3750  1
  Se  Se3  8  0.0056  0.2287  0.7652  1
  Se  Se4  8  0.2478  0.4836  0.9931  1
]