data_[Ag4Te4Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4126]
_cell_length_b [7.4126]
_cell_length_c [7.4126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [AgTeRu4]
_chemical_formula_sum '[Ag4 Te4 Ru16]'
_cell_volume [407.3049]
_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
[
  Ag  Ag0  4  0.0000  0.0000  0.0000  1
  Te  Te1  4  0.2500  0.2500  0.2500  1
  Ru  Ru2  16  0.1251  0.3749  0.8749  1
]