data_[Ba6In16Ag6]
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 [Immm]
_cell_length_a [5.0158]
_cell_length_b [11.3279]
_cell_length_c [14.2307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3In8Ag3]
_chemical_formula_sum '[Ba6 In16 Ag6]'
_cell_volume [808.5582]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1922  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  In  In2  8  0.0000  0.2856  0.3744  1.0
  In  In3  8  0.0000  0.3615  0.1639  1.0
  Ag  Ag4  4  0.0000  0.2098  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.5000  1.0
]