data_[Ba4H12Pd4]
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/c]
_cell_length_a [7.1872]
_cell_length_b [4.9288]
_cell_length_c [9.6873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaH3Pd]
_chemical_formula_sum '[Ba4 H12 Pd4]'
_cell_volume [327.6228]
_cell_formula_units_Z [4]
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  0.2724  0.1790  0.8286  1.0
  H  H1  4  0.0266  0.5035  0.8779  1.0
  Pd  Pd2  4  0.1140  0.7469  0.5121  1.0
  H  H3  4  0.1187  0.0809  0.0770  1.0
  H  H4  4  0.3496  0.6407  0.0900  1.0
]