data_[Ba12H2Pd4]
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/m]
_cell_length_a [15.2259]
_cell_length_b [4.3333]
_cell_length_c [13.0937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6HPd2]
_chemical_formula_sum '[Ba12 H2 Pd4]'
_cell_volume [783.7403]
_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  0.0016  0.0000  0.7720  1.0
  Ba  Ba1  4  0.1604  0.5000  0.5533  1.0
  Ba  Ba2  4  0.1883  0.0000  0.1123  1.0
  Pd  Pd3  4  0.1737  0.5000  0.3042  1.0
  H  H4  2  0.0000  0.0000  0.0000  1.0
]