data_[Ba16Na2Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9166]
_cell_length_b [15.7610]
_cell_length_c [6.7351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8NaZn2]
_chemical_formula_sum '[Ba16 Na2 Zn4]'
_cell_volume [1124.0012]
_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  8  0.1968  0.1355  0.0955  1.0
  Ba  Ba1  4  0.0000  0.2517  0.5000  1.0
  Ba  Ba2  4  0.1196  0.5000  0.2924  1.0
  Na  Na3  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn4  4  0.0000  0.3159  0.0000  1.0
]