data_[Ba4Na4Ag20]
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 [Pnma]
_cell_length_a [9.6595]
_cell_length_b [5.7472]
_cell_length_c [12.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaNaAg5]
_chemical_formula_sum '[Ba4 Na4 Ag20]'
_cell_volume [674.0253]
_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  4  0.2438  0.2500  0.0630  1
  Na  Na1  4  0.1380  0.7500  0.8623  1
  Ag  Ag2  8  0.0700  0.0026  0.3132  1
  Ag  Ag3  4  0.0505  0.7500  0.1086  1
  Ag  Ag4  4  0.0813  0.2500  0.5158  1
  Ag  Ag5  4  0.1862  0.2500  0.7402  1
]