data_[Cd2H1Pd6Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7262]
_cell_length_b [5.8398]
_cell_length_c [6.0007]
_cell_angle_alpha [70.6132]
_cell_angle_beta [69.4303]
_cell_angle_gamma [60.9412]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2HPd6Se]
_chemical_formula_sum '[Cd2 H1 Pd6 Se1]'
_cell_volume [161.0006]
_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  2  0.2033  0.3025  0.2847  1.0
  Pd  Pd1  2  0.1426  0.8546  0.2947  1.0
  Pd  Pd2  2  0.2728  0.6795  0.8717  1.0
  Pd  Pd3  2  0.2960  0.1818  0.8094  1.0
  H  H4  1  0.0000  0.0000  0.0000  1.0
  Se  Se5  1  0.5000  0.5000  0.5000  1.0
]