data_[Ba16Mg4Ag2]
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 [Immm]
_cell_length_a [6.0370]
_cell_length_b [10.6526]
_cell_length_c [16.6030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba8Mg2Ag]
_chemical_formula_sum '[Ba16 Mg4 Ag2]'
_cell_volume [1067.7352]
_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  8  0.0000  0.2190  0.3437  1
  Ba  Ba1  4  0.0000  0.0000  0.1250  1
  Ba  Ba2  4  0.0000  0.3328  0.0000  1
  Mg  Mg3  4  0.0000  0.5000  0.1983  1
  Ag  Ag4  2  0.0000  0.5000  0.5000  1
]