data_[Ba10Na4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0609]
_cell_length_b [7.8877]
_cell_length_c [10.0411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Na2Cl12]
_chemical_formula_sum '[Ba10 Na4 Cl24]'
_cell_volume [1290.1712]
_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  0.1847  0.5000  0.8451  1.0
  Ba  Ba1  4  0.1875  0.5000  0.3437  1.0
  Ba  Ba2  2  0.0000  0.0000  0.5000  1.0
  Na  Na3  4  0.0000  0.2321  0.0000  1.0
  Cl  Cl4  8  0.1558  0.2509  0.5731  1.0
  Cl  Cl5  8  0.1733  0.2634  0.0922  1.0
  Cl  Cl6  4  0.0012  0.5000  0.2020  1.0
  Cl  Cl7  4  0.0071  0.0000  0.7998  1.0
]