data_[Li4Sc4U8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9605]
_cell_length_b [16.9132]
_cell_length_c [12.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiScU2Se5]
_chemical_formula_sum '[Li4 Sc4 U8 Se20]'
_cell_volume [807.8176]
_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
[
  Li  Li0  4  0.0000  0.4469  0.4611  1
  Sc  Sc1  4  0.0000  0.2000  0.0099  1
  U  U2  4  0.0000  0.1063  0.6825  1
  U  U3  4  0.0000  0.1306  0.3030  1
  Se  Se4  4  0.0000  0.0521  0.0715  1
  Se  Se5  4  0.0000  0.2828  0.6651  1
  Se  Se6  4  0.0000  0.3109  0.3526  1
  Se  Se7  4  0.0000  0.3618  0.9994  1
  Se  Se8  4  0.0000  0.4958  0.7790  1
]