data_[Ba24Cd12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.5200]
_cell_length_b [16.6203]
_cell_length_c [7.6274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba6Cd3H]
_chemical_formula_sum '[Ba24 Cd12 H4]'
_cell_volume [1713.9273]
_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  0.1587  0.2896  0.2064  1.0
  Ba  Ba1  8  0.2216  0.4694  0.7001  1.0
  Ba  Ba2  4  0.0000  0.0813  0.9788  1.0
  Ba  Ba3  4  0.0000  0.2989  0.7123  1.0
  Cd  Cd4  8  0.1119  0.1235  0.5117  1.0
  Cd  Cd5  4  0.0000  0.4818  0.4259  1.0
  H  H6  4  0.0000  0.2414  0.0320  1.0
]