data_[Bi2H4Pd12]
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 [9.3963]
_cell_length_b [3.0495]
_cell_length_c [9.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi(HPd3)2]
_chemical_formula_sum '[Bi2 H4 Pd12]'
_cell_volume [256.7055]
_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  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0611  0.0000  0.8071  1.0
  H  H2  4  0.1299  0.0000  0.1751  1.0
  Pd  Pd3  4  0.1500  0.5000  0.0675  1.0
  Pd  Pd4  4  0.2500  0.0000  0.3565  1.0
]