data_[Ba24In12H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.4825]
_cell_length_b [16.6237]
_cell_length_c [7.6817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba6In3H]
_chemical_formula_sum '[Ba24 In12 H4]'
_cell_volume [1721.7029]
_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  8  0.1556  0.2934  0.2068  1.0
  Ba  Ba1  8  0.2227  0.4714  0.6952  1.0
  Ba  Ba2  4  0.0000  0.0816  0.9780  1.0
  Ba  Ba3  4  0.0000  0.3053  0.7138  1.0
  In  In4  8  0.1124  0.1271  0.5170  1.0
  In  In5  4  0.0000  0.4864  0.4257  1.0
  H  H6  4  0.0000  0.2428  0.0300  1.0
]