data_[U4Al8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8199]
_cell_length_b [11.6539]
_cell_length_c [6.9651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [U(AlSe3)2]
_chemical_formula_sum '[U4 Al8 Se24]'
_cell_volume [1026.7601]
_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  0.1040  0.2500  1
  Al  Al1  8  0.1823  0.4318  0.3406  1
  Se  Se2  8  0.1187  0.0735  0.6187  1
  Se  Se3  8  0.1227  0.4081  0.6440  1
  Se  Se4  8  0.1362  0.2549  0.1589  1
]