data_[Ba4Zn12Ag8]
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 [16.8388]
_cell_length_b [4.5416]
_cell_length_c [7.9878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaZn3Ag2]
_chemical_formula_sum '[Ba4 Zn12 Ag8]'
_cell_volume [551.4958]
_cell_formula_units_Z [4]
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  0.1509  0.0000  0.0820  1.0
  Zn  Zn1  4  0.0108  0.0000  0.3503  1.0
  Zn  Zn2  4  0.0883  0.5000  0.6377  1.0
  Zn  Zn3  4  0.1917  0.5000  0.4595  1.0
  Ag  Ag4  4  0.0210  0.5000  0.1913  1.0
  Ag  Ag5  4  0.1741  0.0000  0.6352  1.0
]