data_[Hf3Si3Ru3]
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 [P-62m]
_cell_length_a [6.6657]
_cell_length_b [6.6657]
_cell_length_c [3.6989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HfSiRu]
_chemical_formula_sum '[Hf3 Si3 Ru3]'
_cell_volume [142.3288]
_cell_formula_units_Z [3]
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  3  0.0000  0.5866  0.5000  1.0
  Si  Si1  2  0.3333  0.6667  0.0000  1.0
  Si  Si2  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru3  3  0.0000  0.2459  0.0000  1.0
]