data_[Ba2Na8Si4]
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 [Cmmm]
_cell_length_a [4.8130]
_cell_length_b [18.8186]
_cell_length_c [4.7871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba(Na2Si)2]
_chemical_formula_sum '[Ba2 Na8 Si4]'
_cell_volume [433.5843]
_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  2  0.0000  0.0000  0.0000  1
  Na  Na1  4  0.0000  0.1674  0.5000  1
  Na  Na2  4  0.0000  0.3308  0.0000  1
  Si  Si3  4  0.0000  0.4397  0.5000  1
]