data_[Ho8Ge16Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2206]
_cell_length_b [9.0693]
_cell_length_c [15.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [HoGe2Ru]
_chemical_formula_sum '[Ho8 Ge16 Ru8]'
_cell_volume [610.0248]
_cell_formula_units_Z [8]
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
[
  Ho  Ho0  4  0.0000  0.0000  0.2915  1
  Ho  Ho1  4  0.0000  0.2414  0.5000  1
  Ge  Ge2  8  0.0000  0.3428  0.2996  1
  Ge  Ge3  4  0.0000  0.0000  0.0809  1
  Ge  Ge4  4  0.0000  0.5000  0.0785  1
  Ru  Ru5  8  0.0000  0.2496  0.1424  1
]