data_[Cd1Bi1H2Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [P4/mmm]
_cell_length_a [4.0860]
_cell_length_b [4.0860]
_cell_length_c [8.1869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CdBiH2Pd5]
_chemical_formula_sum '[Cd1 Bi1 H2 Pd5]'
_cell_volume [136.6822]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0000  0.5000  0.2394  1.0
  H  H3  2  0.5000  0.5000  0.2462  1.0
  Pd  Pd4  1  0.5000  0.5000  0.5000  1.0
]