data_[Ba8Zn4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3435]
_cell_length_b [4.5783]
_cell_length_c [11.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnSi2]
_chemical_formula_sum '[Ba8 Zn4 Si8]'
_cell_volume [581.4960]
_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  0.1167  0.0000  0.9117  1.0
  Ba  Ba1  4  0.2197  0.5000  0.6532  1.0
  Zn  Zn2  4  0.0478  0.5000  0.3144  1.0
  Si  Si3  4  0.0324  0.0000  0.4139  1.0
  Si  Si4  4  0.0872  0.5000  0.1068  1.0
]