data_[Ba16Mg8Ag24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.9735]
_cell_length_b [9.9274]
_cell_length_c [17.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2MgAg3]
_chemical_formula_sum '[Ba16 Mg8 Ag24]'
_cell_volume [1527.3161]
_cell_formula_units_Z [8]
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  8  0.2428  0.0000  0.0000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  8  0.0000  0.0000  0.3339  1.0
  Ag  Ag3  16  0.0000  0.2457  0.4158  1.0
  Ag  Ag4  8  0.0000  0.0000  0.1689  1.0
]