data_[In16Ag4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1062]
_cell_length_b [8.1062]
_cell_length_c [8.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [In4AgRu]
_chemical_formula_sum '[In16 Ag4 Ru4]'
_cell_volume [532.6596]
_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
[
  In  In0  16  0.1247  0.3753  0.8753  1
  Ag  Ag1  4  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.2500  0.2500  0.2500  1
]