data_[Ba4H8Pd2]
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 [5.6201]
_cell_length_b [5.7278]
_cell_length_c [7.9787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2H4Pd]
_chemical_formula_sum '[Ba4 H8 Pd2]'
_cell_volume [254.6125]
_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  2  0.2308  0.7500  0.3881  1.0
  Ba  Ba1  2  0.2806  0.2500  0.0118  1.0
  H  H2  4  0.3617  0.5094  0.7222  1.0
  H  H3  2  0.1164  0.2500  0.3353  1.0
  Pd  Pd4  2  0.1752  0.7500  0.7700  1.0
  H  H5  2  0.2210  0.7500  0.0077  1.0
]