data_[Ag20C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.8421]
_cell_length_b [8.8421]
_cell_length_c [5.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ag5C3]
_chemical_formula_sum '[Ag20 C12]'
_cell_volume [448.2644]
_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  16  0.0658  0.2155  0.0000  1
  Ag  Ag1  4  0.0000  0.5000  0.2500  1
  C  C2  8  0.1678  0.3322  0.5000  1
  C  C3  4  0.0000  0.0000  0.2500  1
]