data_[Ho12U4Fe12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [7.4967]
_cell_length_b [12.0174]
_cell_length_c [6.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3UFe3]
_chemical_formula_sum '[Ho12 U4 Fe12]'
_cell_volume [594.3980]
_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
[
  Ho  Ho0  4  0.0000  0.2105  0.5000  1
  Ho  Ho1  4  0.0000  0.2589  0.0000  1
  Ho  Ho2  4  0.1576  0.5000  0.3878  1
  U  U3  4  0.2167  0.0000  0.9975  1
  Fe  Fe4  8  0.2025  0.3861  0.7456  1
  Fe  Fe5  4  0.0037  0.0000  0.2802  1
]