data_[U4Fe16Ge4]
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 [I4_1/amd]
_cell_length_a [4.6760]
_cell_length_b [4.6760]
_cell_length_c [17.2750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [UFe4Ge]
_chemical_formula_sum '[U4 Fe16 Ge4]'
_cell_volume [377.7224]
_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  0.0000  0.0000  1
  Fe  Fe1  16  0.0000  0.2491  0.8715  1
  Ge  Ge2  4  0.0000  0.0000  0.5000  1
]