data_[Ba12Na2In4]
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 [9.5229]
_cell_length_b [10.7183]
_cell_length_c [9.5268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6NaIn2]
_chemical_formula_sum '[Ba12 Na2 In4]'
_cell_volume [902.0976]
_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  8  0.0648  0.1934  0.3005  1
  Ba  Ba1  4  0.1954  0.5000  0.9660  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  In  In3  4  0.2483  0.5000  0.3469  1
]