data_[Tm4U4Fe16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5367]
_cell_length_b [6.0329]
_cell_length_c [4.8777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmUFe4]
_chemical_formula_sum '[Tm4 U4 Fe16]'
_cell_volume [376.9342]
_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
[
  Tm  Tm0  4  0.1986  0.0000  0.1397  1
  U  U1  4  0.0742  0.5000  0.7905  1
  Fe  Fe2  8  0.1021  0.1920  0.5487  1
  Fe  Fe3  4  0.0000  0.1973  0.0000  1
  Fe  Fe4  4  0.1708  0.5000  0.2935  1
]