data_[Ba8Zn104]
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
]
_symmetry_space_group_name_H-M [Fm-3c]
_cell_length_a [12.3217]
_cell_length_b [12.3217]
_cell_length_c [12.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [226]
_chemical_formula_structural [BaZn13]
_chemical_formula_sum '[Ba8 Zn104]'
_cell_volume [1870.7243]
_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  0.2500  0.2500  0.2500  1
  Zn  Zn1  96  0.0000  0.1201  0.1787  1
  Zn  Zn2  8  0.0000  0.0000  0.0000  1
]