data_[Ge8Pd12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.4780]
_cell_length_b [13.0367]
_cell_length_c [5.3044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ge2Pd3Ru]
_chemical_formula_sum '[Ge8 Pd12 Ru4]'
_cell_volume [378.8138]
_cell_formula_units_Z [4]
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  0.2375  0.1280  0.5000  1
  Pd  Pd1  8  0.2437  0.6846  0.0000  1
  Ru  Ru2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  4  0.0000  0.5000  0.2500  1
]