data_[Hf18Ga36Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [10.5098]
_cell_length_b [10.5098]
_cell_length_c [10.9532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Hf3Ga6Ru]
_chemical_formula_sum '[Hf18 Ga36 Ru6]'
_cell_volume [1047.7564]
_cell_formula_units_Z [6]
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  18  0.0000  0.4286  0.2500  1.0
  Ga  Ga1  36  0.0615  0.2042  0.3490  1.0
  Ru  Ru2  6  0.0000  0.0000  0.0000  1.0
]