data_[U4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6406]
_cell_length_b [8.4623]
_cell_length_c [8.0287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [UPb2Se5]
_chemical_formula_sum '[U4 Pb8 Se20]'
_cell_volume [858.8176]
_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  0.0049  0.7500  0.9337  1
  Pb  Pb1  8  0.1739  0.0101  0.4410  1
  Se  Se2  8  0.0758  0.0438  0.8306  1
  Se  Se3  4  0.0052  0.7500  0.5702  1
  Se  Se4  4  0.1890  0.7500  0.1256  1
  Se  Se5  4  0.2054  0.2500  0.1545  1
]