data_[Y8Ge16Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2488]
_cell_length_b [9.0792]
_cell_length_c [15.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [YGe2Ru]
_chemical_formula_sum '[Y8 Ge16 Ru8]'
_cell_volume [616.6137]
_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
[
  Y  Y0  4  0.0000  0.0000  0.2916  1
  Y  Y1  4  0.0000  0.2418  0.5000  1
  Ge  Ge2  8  0.0000  0.3419  0.7001  1
  Ge  Ge3  4  0.0000  0.0000  0.0811  1
  Ge  Ge4  4  0.0000  0.5000  0.0786  1
  Ru  Ru5  8  0.0000  0.2494  0.8570  1
]