data_[Bi4H8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [4.3564]
_cell_length_b [9.7230]
_cell_length_c [9.5029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Bi(HPd2)2]
_chemical_formula_sum '[Bi4 H8 Pd16]'
_cell_volume [402.5209]
_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
[
  Bi  Bi0  4  0.0000  0.5000  0.2500  1.0
  H  H1  8  0.0000  0.2497  0.0000  1.0
  Pd  Pd2  8  0.2393  0.9036  0.5000  1.0
  Pd  Pd3  8  0.2500  0.2500  0.3444  1.0
]