data_[Ba16Na4In2]
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 [C2/m]
_cell_length_a [22.3692]
_cell_length_b [6.3739]
_cell_length_c [8.8451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Na2In]
_chemical_formula_sum '[Ba16 Na4 In2]'
_cell_volume [1191.1668]
_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  0.0223  0.0000  0.7980  1.0
  Ba  Ba1  4  0.0892  0.5000  0.4240  1.0
  Ba  Ba2  4  0.1553  0.5000  0.9638  1.0
  Ba  Ba3  4  0.1990  0.0000  0.2977  1.0
  Na  Na4  4  0.1799  0.0000  0.7102  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]