data_[Ba4H8Pd8]
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 [C2/c]
_cell_length_a [5.2752]
_cell_length_b [11.9207]
_cell_length_c [5.7972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(HPd)2]
_chemical_formula_sum '[Ba4 H8 Pd8]'
_cell_volume [335.6245]
_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  0.1600  0.2500  1.0
  Pd  Pd1  8  0.2067  0.4293  0.1459  1.0
  H  H2  4  0.0000  0.1635  0.7500  1.0
  H  H3  4  0.0000  0.4743  0.7500  1.0
]