data_[Hf16Ga4Ru2]
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 [C2/m]
_cell_length_a [16.9959]
_cell_length_b [4.4067]
_cell_length_c [6.1344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Ga2Ru]
_chemical_formula_sum '[Hf16 Ga4 Ru2]'
_cell_volume [453.4753]
_cell_formula_units_Z [2]
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  0.0115  0.0000  0.7563  1
  Hf  Hf1  4  0.0967  0.5000  0.5081  1
  Hf  Hf2  4  0.1508  0.5000  0.0263  1
  Hf  Hf3  4  0.2167  0.0000  0.3443  1
  Ga  Ga4  4  0.1826  0.0000  0.7807  1
  Ru  Ru5  2  0.0000  0.5000  0.0000  1
]