data_[Ba4In4Ag20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3721]
_cell_length_b [5.8906]
_cell_length_c [11.6966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaInAg5]
_chemical_formula_sum '[Ba4 In4 Ag20]'
_cell_volume [645.7375]
_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  0.2397  0.2500  0.0599  1
  In  In1  4  0.1469  0.7500  0.8571  1
  Ag  Ag2  8  0.0667  0.0056  0.3079  1
  Ag  Ag3  4  0.0711  0.7500  0.0953  1
  Ag  Ag4  4  0.0936  0.2500  0.5183  1
  Ag  Ag5  4  0.1793  0.2500  0.7572  1
]