data_[Ba4In24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2769]
_cell_length_b [9.2425]
_cell_length_c [9.5413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaIn6]
_chemical_formula_sum '[Ba4 In24]'
_cell_volume [815.2731]
_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  0.0000  0.2970  0.2500  1
  In  In1  8  0.0950  0.0663  0.6253  1
  In  In2  8  0.1468  0.3250  0.8964  1
  In  In3  8  0.1805  0.3973  0.5937  1
]