data_[U4Sn4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7053]
_cell_length_b [3.6105]
_cell_length_c [11.3496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [USnI]
_chemical_formula_sum '[U4 Sn4 I4]'
_cell_volume [453.4363]
_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  0.1977  0.5000  0.6317  1
  Sn  Sn1  4  0.0387  0.0000  0.3885  1
  I  I2  4  0.1782  0.5000  0.1436  1
]