data_[Ba16Li4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7806]
_cell_length_b [6.2399]
_cell_length_c [8.3912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Li2Zn]
_chemical_formula_sum '[Ba16 Li4 Zn2]'
_cell_volume [1089.2701]
_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  0.0254  0.0000  0.7978  1.0
  Ba  Ba1  4  0.0890  0.5000  0.4249  1.0
  Ba  Ba2  4  0.1554  0.5000  0.9698  1.0
  Ba  Ba3  4  0.2045  0.0000  0.3086  1.0
  Li  Li4  4  0.1825  0.0000  0.7197  1.0
  Zn  Zn5  2  0.0000  0.5000  0.0000  1.0
]