data_[Ba4Na12Sn8]
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 [C2/m]
_cell_length_a [15.8711]
_cell_length_b [5.4752]
_cell_length_c [10.2633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNa3Sn2]
_chemical_formula_sum '[Ba4 Na12 Sn8]'
_cell_volume [779.4220]
_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  4  0.1358  0.0000  0.0177  1.0
  Na  Na1  4  0.0597  0.0000  0.3790  1.0
  Na  Na2  4  0.0950  0.5000  0.7082  1.0
  Na  Na3  4  0.2135  0.5000  0.5391  1.0
  Sn  Sn4  4  0.0580  0.5000  0.1716  1.0
  Sn  Sn5  4  0.2242  0.0000  0.7364  1.0
]