data_[Ba24Na8Zn8]
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 [Cmce]
_cell_length_a [17.5160]
_cell_length_b [13.5543]
_cell_length_c [8.5065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba3NaZn]
_chemical_formula_sum '[Ba24 Na8 Zn8]'
_cell_volume [2019.5988]
_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  16  0.1372  0.1910  0.1097  1.0
  Ba  Ba1  8  0.0000  0.0554  0.7218  1.0
  Na  Na2  8  0.2500  0.0544  0.7500  1.0
  Zn  Zn3  8  0.0000  0.2015  0.3867  1.0
]