data_[Al16Ge16Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.8265]
_cell_length_b [8.4589]
_cell_length_c [12.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [AlGeRu]
_chemical_formula_sum '[Al16 Ge16 Ru16]'
_cell_volume [859.0016]
_cell_formula_units_Z [16]
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
[
  Al  Al0  16  0.0000  0.0000  0.1579  1
  Ge  Ge1  16  0.1250  0.1250  0.6250  1
  Ru  Ru2  16  0.0612  0.2500  0.2500  1
]