data_[U6Fe8Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3269]
_cell_length_b [4.1882]
_cell_length_c [8.0182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U3(Fe2Si)2]
_chemical_formula_sum '[U6 Fe8 Si4]'
_cell_volume [279.5998]
_cell_formula_units_Z [2]
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  0.1290  0.5000  0.3998  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.0987  0.0000  0.6419  1
  Fe  Fe3  4  0.2341  0.5000  0.0859  1
  Si  Si4  4  0.1797  0.5000  0.7856  1
]