data_[Ba6In4Ag8]
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 [12.2711]
_cell_length_b [5.0743]
_cell_length_c [9.6717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(InAg2)2]
_chemical_formula_sum '[Ba6 In4 Ag8]'
_cell_volume [564.9552]
_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  0.1386  0.5000  0.6892  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.1597  0.5000  0.3271  1
  Ag  Ag3  4  0.0976  0.0000  0.4210  1
  Ag  Ag4  4  0.2258  0.5000  0.0649  1
]