data_[U10Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0233]
_cell_length_b [12.2049]
_cell_length_c [6.9104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U5Se6]
_chemical_formula_sum '[U10 Se12]'
_cell_volume [556.0900]
_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
[
  U  U0  4  0.0000  0.1719  0.5000  1
  U  U1  4  0.0000  0.3353  0.0000  1
  U  U2  2  0.0000  0.5000  0.5000  1
  Se  Se3  8  0.2376  0.1597  0.2375  1
  Se  Se4  4  0.2377  0.0000  0.7533  1
]