data_[Ho12Pu4Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1995]
_cell_length_b [9.2450]
_cell_length_c [6.6296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3PuRu3]
_chemical_formula_sum '[Ho12 Pu4 Ru12]'
_cell_volume [619.9895]
_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  0.1893  0.5000  1
  Ho  Ho1  4  0.0000  0.2969  0.0000  1
  Ho  Ho2  4  0.1895  0.5000  0.5208  1
  Pu  Pu3  4  0.2065  0.0000  0.9255  1
  Ru  Ru4  8  0.2465  0.2535  0.2395  1
  Ru  Ru5  4  0.0672  0.0000  0.2018  1
]