data_[Bi4H2Pd16]
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/m]
_cell_length_a [13.5930]
_cell_length_b [4.8674]
_cell_length_c [5.7540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2HPd8]
_chemical_formula_sum '[Bi4 H2 Pd16]'
_cell_volume [357.9739]
_cell_formula_units_Z [2]
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  0.1877  0.0000  0.6660  1.0
  Pd  Pd1  4  0.0041  0.0000  0.7643  1.0
  Pd  Pd2  4  0.0958  0.5000  0.4204  1.0
  Pd  Pd3  4  0.1108  0.5000  0.9298  1.0
  Pd  Pd4  4  0.1951  0.0000  0.1768  1.0
  H  H5  2  0.0000  0.5000  0.0000  1.0
]