data_[Ba24Na4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [11.8274]
_cell_length_b [11.8761]
_cell_length_c [11.9897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba6NaSi2]
_chemical_formula_sum '[Ba24 Na4 Si8]'
_cell_volume [1684.0969]
_cell_formula_units_Z [4]
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  0.0000  0.2257  0.2204  1
  Ba  Ba1  8  0.1906  0.5000  0.1831  1
  Ba  Ba2  8  0.2013  0.3203  0.5000  1
  Na  Na3  2  0.0000  0.0000  0.0000  1
  Na  Na4  2  0.0000  0.0000  0.5000  1
  Si  Si5  4  0.0000  0.3960  0.0000  1
  Si  Si6  4  0.0000  0.5000  0.3975  1
]