data_[Ba6Na4Sn18]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9763]
_cell_length_b [11.9817]
_cell_length_c [15.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Na2Sn9]
_chemical_formula_sum '[Ba6 Na4 Sn18]'
_cell_volume [899.7924]
_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  0.0000  0.0000  0.2988  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  4  0.0000  0.1772  0.5000  1.0
  Sn  Sn3  8  0.0000  0.2894  0.1506  1.0
  Sn  Sn4  8  0.0000  0.3591  0.3485  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]