data_[U4Ge4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7392]
_cell_length_b [3.9834]
_cell_length_c [11.6177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UGeI]
_chemical_formula_sum '[U4 Ge4 I4]'
_cell_volume [433.5817]
_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  0.1650  0.5000  0.6297  1
  Ge  Ge1  4  0.0711  0.0000  0.4274  1
  I  I2  4  0.2010  0.5000  0.1651  1
]