data_[Hf8Si8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9587]
_cell_length_b [4.0153]
_cell_length_c [9.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Si2Ru]
_chemical_formula_sum '[Hf8 Si8 Ru4]'
_cell_volume [333.2625]
_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
[
  Hf  Hf0  4  0.0062  0.0000  0.6804  1.0
  Hf  Hf1  4  0.1846  0.0000  0.0988  1.0
  Si  Si2  4  0.0190  0.5000  0.8795  1.0
  Si  Si3  4  0.1396  0.5000  0.5729  1.0
  Ru  Ru4  4  0.2242  0.5000  0.3720  1.0
]