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 [C2/m]
_cell_length_a [18.1694]
_cell_length_b [5.0464]
_cell_length_c [10.7667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3In8Ag3]
_chemical_formula_sum '[Ba6 In16 Ag6]'
_cell_volume [798.3439]
_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  0.2063  0.5000  0.7087  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0036  0.5000  0.6832  1
  In  In3  4  0.1401  0.0000  0.4274  1
  In  In4  4  0.1442  0.0000  0.8642  1
  In  In5  4  0.1556  0.5000  0.2836  1
  Ag  Ag6  4  0.1539  0.5000  0.0115  1
  Ag  Ag7  2  0.0000  0.0000  0.5000  1
]