data_[Hf12In6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3724]
_cell_length_b [8.7224]
_cell_length_c [10.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6In3Ru]
_chemical_formula_sum '[Hf12 In6 Ru2]'
_cell_volume [448.5265]
_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  0.0157  0.7019  0.9420  1
  Hf  Hf1  4  0.3813  0.6167  0.7313  1
  Hf  Hf2  4  0.3817  0.1667  0.9681  1
  In  In3  4  0.1030  0.5840  0.2432  1
  In  In4  2  0.5000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]