data_[Ba16Zn4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3642]
_cell_length_b [5.9069]
_cell_length_c [8.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Zn2Ag]
_chemical_formula_sum '[Ba16 Zn4 Ag2]'
_cell_volume [998.3154]
_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  0.0370  0.0000  0.7995  1.0
  Ba  Ba1  4  0.0931  0.5000  0.4402  1.0
  Ba  Ba2  4  0.1684  0.5000  0.9717  1.0
  Ba  Ba3  4  0.2073  0.0000  0.3260  1.0
  Zn  Zn4  4  0.1869  0.0000  0.7192  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
]