data_[Ge24Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [11.5519]
_cell_length_b [9.3176]
_cell_length_c [5.7705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Ge3Ru2]
_chemical_formula_sum '[Ge24 Ru16]'
_cell_volume [621.1185]
_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
[
  Ge  Ge0  8  0.0737  0.2785  0.4658  1
  Ge  Ge1  8  0.1371  0.0987  0.9022  1
  Ge  Ge2  8  0.1715  0.4312  0.0869  1
  Ru  Ru3  8  0.2471  0.3127  0.7415  1
  Ru  Ru4  4  0.0000  0.0723  0.2500  1
  Ru  Ru5  4  0.0000  0.4529  0.7500  1
]