data_[U4Se6I1]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.9368]
_cell_length_b [8.9368]
_cell_length_c [3.9642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [U4Se6I]
_chemical_formula_sum '[U4 Se6 I1]'
_cell_volume [274.1883]
_cell_formula_units_Z [1]
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  3  0.3661  0.1830  0.5000  1
  U  U1  1  0.3333  0.6667  0.0000  1
  Se  Se2  3  0.1946  0.3892  0.5000  1
  Se  Se3  3  0.5393  0.0787  0.0000  1
  I  I4  1  0.0000  0.0000  0.0000  1
]