data_[Bi12H4Pd24]
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 [Cmc2_1]
_cell_length_a [10.1249]
_cell_length_b [13.5952]
_cell_length_c [5.2695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Bi3HPd6]
_chemical_formula_sum '[Bi12 H4 Pd24]'
_cell_volume [725.3408]
_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  8  0.1735  0.1103  0.0683  1.0
  Bi  Bi1  4  0.0000  0.3577  0.8134  1.0
  Pd  Pd2  8  0.1382  0.4655  0.2243  1.0
  Pd  Pd3  8  0.2227  0.1973  0.5604  1.0
  Pd  Pd4  4  0.0000  0.0573  0.6230  1.0
  H  H5  4  0.0000  0.1822  0.5348  1.0
  Pd  Pd6  4  0.0000  0.2782  0.3083  1.0
]