data_[Ho12Sc4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3985]
_cell_length_b [8.5072]
_cell_length_c [7.8906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.8306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3ScRu]
_chemical_formula_sum '[Ho12 Sc4 Ru4]'
_cell_volume [551.9695]
_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  0.2429  0.1964  0.2839  1.0
  Ho  Ho1  4  0.0540  0.5000  0.8446  1.0
  Sc  Sc2  4  0.0531  0.0000  0.7461  1.0
  Ru  Ru3  4  0.2440  0.0000  0.6201  1.0
]