data_[Ba8H2Pd4]
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 [P2_1/m]
_cell_length_a [7.5633]
_cell_length_b [7.8281]
_cell_length_c [8.8618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4HPd2]
_chemical_formula_sum '[Ba8 H2 Pd4]'
_cell_volume [501.8857]
_cell_formula_units_Z [2]
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  0.4915  0.5065  0.2498  1
  Ba  Ba1  2  0.0411  0.7500  0.3773  1
  Ba  Ba2  2  0.0454  0.7500  0.8938  1
  H  H3  2  0.2553  0.7500  0.1898  1
  Pd  Pd4  2  0.2754  0.2500  0.4418  1
  Pd  Pd5  2  0.2785  0.2500  0.9471  1
]