data_[Ba8Na24In8]
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/c]
_cell_length_a [18.9831]
_cell_length_b [11.4816]
_cell_length_c [7.4379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaNa3In]
_chemical_formula_sum '[Ba8 Na24 In8]'
_cell_volume [1585.0273]
_cell_formula_units_Z [8]
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  0.0597  0.2500  1.0
  Ba  Ba1  4  0.0000  0.3585  0.7500  1.0
  Na  Na2  8  0.1731  0.1650  0.0770  1.0
  Na  Na3  8  0.1781  0.1660  0.5936  1.0
  Na  Na4  8  0.1834  0.4999  0.0932  1.0
  In  In5  8  0.0799  0.3403  0.2888  1.0
]