data_[Ba4Mo2H12Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5478]
_cell_length_b [5.5478]
_cell_length_c [8.5023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2MoH6Pd]
_chemical_formula_sum '[Ba4 Mo2 H12 Pd2]'
_cell_volume [261.6873]
_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  0.0000  0.5000  0.2500  1
  Mo  Mo1  2  0.0000  0.0000  0.0000  1
  H  H2  8  0.2486  0.2486  0.0000  1
  H  H3  4  0.0000  0.0000  0.2225  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
]