data_[Ba10Na4F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2160]
_cell_length_b [6.7559]
_cell_length_c [8.5349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Na2F12]
_chemical_formula_sum '[Ba10 Na4 F24]'
_cell_volume [782.0960]
_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  0.1819  0.5000  0.3427  1.0
  Ba  Ba1  4  0.1890  0.5000  0.8448  1.0
  Ba  Ba2  2  0.0000  0.0000  0.5000  1.0
  Na  Na3  4  0.0000  0.2270  0.0000  1.0
  F  F4  8  0.1574  0.2495  0.5755  1.0
  F  F5  8  0.1730  0.2722  0.0905  1.0
  F  F6  4  0.0023  0.5000  0.8105  1.0
  F  F7  4  0.0027  0.0000  0.2038  1.0
]