data_[Ba12Zn4Si8]
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 [P2_1/c]
_cell_length_a [7.9877]
_cell_length_b [11.4215]
_cell_length_c [10.6223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3ZnSi2]
_chemical_formula_sum '[Ba12 Zn4 Si8]'
_cell_volume [912.9724]
_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  0.2063  0.0241  0.3870  1
  Ba  Ba1  4  0.2462  0.0630  0.9784  1
  Ba  Ba2  4  0.2914  0.7243  0.1871  1
  Zn  Zn3  4  0.2178  0.1797  0.6726  1
  Si  Si4  4  0.0334  0.7040  0.3781  1
  Si  Si5  4  0.4491  0.0436  0.7259  1
]