data_[U8Fe20Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0522]
_cell_length_b [24.1474]
_cell_length_c [6.1260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [U2Fe5Ge3]
_chemical_formula_sum '[U8 Fe20 Ge12]'
_cell_volume [599.4362]
_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  0.1780  0.2427  1
  U  U1  4  0.0000  0.4925  0.2873  1
  Fe  Fe2  4  0.0000  0.0446  0.5096  1
  Fe  Fe3  4  0.0000  0.1267  0.7673  1
  Fe  Fe4  4  0.0000  0.2922  0.0394  1
  Fe  Fe5  4  0.0000  0.2942  0.4531  1
  Fe  Fe6  4  0.0000  0.3917  0.4878  1
  Ge  Ge7  4  0.0000  0.0598  0.0850  1
  Ge  Ge8  4  0.0000  0.2271  0.7453  1
  Ge  Ge9  4  0.0000  0.3909  0.0177  1
]