data_[Ho12Cu4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2619]
_cell_length_b [15.1594]
_cell_length_c [5.6604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3CuRu]
_chemical_formula_sum '[Ho12 Cu4 Ru4]'
_cell_volume [460.1038]
_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  8  0.1821  0.1062  0.8601  1.0
  Ho  Ho1  4  0.0000  0.3128  0.5000  1.0
  Cu  Cu2  4  0.2083  0.5000  0.5306  1.0
  Ru  Ru3  4  0.0000  0.2503  0.0000  1.0
]