data_[Hf2Sc4Ge6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5913]
_cell_length_b [11.9341]
_cell_length_c [6.8844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfSc2(GeRu)3]
_chemical_formula_sum '[Hf2 Sc4 Ge6 Ru6]'
_cell_volume [295.0572]
_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  2  0.0000  0.0000  0.4069  1
  Sc  Sc1  4  0.0000  0.2034  0.7957  1
  Ge  Ge2  4  0.5000  0.1688  0.5007  1
  Ge  Ge3  2  0.0000  0.0000  0.9971  1
  Ru  Ru4  4  0.5000  0.1231  0.1283  1
  Ru  Ru5  2  0.5000  0.0000  0.7467  1
]