data_[Bi8H8Pd24]
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 [C2/c]
_cell_length_a [13.4285]
_cell_length_b [8.3635]
_cell_length_c [5.7853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiHPd3]
_chemical_formula_sum '[Bi8 H8 Pd24]'
_cell_volume [638.8322]
_cell_formula_units_Z [8]
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  0.1160  0.2500  1.0
  Bi  Bi1  4  0.0000  0.3712  0.7500  1.0
  Pd  Pd2  8  0.1388  0.1273  0.6611  1.0
  Pd  Pd3  8  0.1698  0.4579  0.5068  1.0
  Pd  Pd4  8  0.1818  0.2026  0.1451  1.0
  H  H5  8  0.2184  0.4022  0.2430  1.0
]