data_[Ba12Na4Zn2]
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 [P2_1/c]
_cell_length_a [7.8563]
_cell_length_b [10.3019]
_cell_length_c [14.2368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Na2Zn]
_chemical_formula_sum '[Ba12 Na4 Zn2]'
_cell_volume [979.3908]
_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  0.1208  0.0275  0.2380  1
  Ba  Ba1  4  0.1829  0.6747  0.0518  1
  Ba  Ba2  4  0.4301  0.1905  0.0524  1
  Na  Na3  4  0.3488  0.1142  0.7546  1
  Zn  Zn4  2  0.5000  0.0000  0.5000  1
]