data_[Ba6Ac3H36Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0115]
_cell_length_b [7.0115]
_cell_length_c [15.8124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Ac(H4Pd)3]
_chemical_formula_sum '[Ba6 Ac3 H36 Pd9]'
_cell_volume [673.2037]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3911  1
  Ac  Ac1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0438  0.5219  0.3917  1
  H  H3  18  0.0850  0.5425  0.8167  1
  Pd  Pd4  9  0.0000  0.5000  0.5000  1
]