data_[Ba2Na12In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.5872]
_cell_length_b [10.7850]
_cell_length_c [11.0650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba(NaIn)6]
_chemical_formula_sum '[Ba2 Na12 In12]'
_cell_volume [786.0944]
_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  1.0
  Na  Na1  4  0.0000  0.0000  0.3427  1.0
  Na  Na2  4  0.0000  0.2958  0.5000  1.0
  Na  Na3  4  0.0000  0.3523  0.0000  1.0
  In  In4  8  0.2500  0.2500  0.2500  1.0
  In  In5  4  0.0000  0.5000  0.2781  1.0
]