data_[Ba20Na4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4962]
_cell_length_b [8.5056]
_cell_length_c [13.7568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba5NaAg]
_chemical_formula_sum '[Ba20 Na4 Ag4]'
_cell_volume [1566.0522]
_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
[
  Ba  Ba0  8  0.1254  0.3324  0.0360  1.0
  Ba  Ba1  8  0.2132  0.1734  0.6313  1.0
  Ba  Ba2  4  0.0000  0.0381  0.2500  1.0
  Na  Na3  4  0.0000  0.4704  0.7500  1.0
  Ag  Ag4  4  0.0000  0.0000  0.0000  1.0
]