data_[Ba8H24Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.6314]
_cell_length_b [12.5713]
_cell_length_c [5.7335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [BaH3Pd]
_chemical_formula_sum '[Ba8 H24 Pd8]'
_cell_volume [550.0565]
_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  8  0.2500  0.1125  0.7500  1.0
  H  H1  8  0.0000  0.0421  0.1193  1.0
  Pd  Pd2  8  0.0000  0.1567  0.2662  1.0
  H  H3  8  0.0000  0.2480  0.9870  1.0
  H  H4  8  0.2500  0.1519  0.2500  1.0
]