data_[Cu2H8Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.0554]
_cell_length_b [4.9533]
_cell_length_c [4.9420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CuH4Pd3]
_chemical_formula_sum '[Cu2 H8 Pd6]'
_cell_volume [148.2322]
_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
[
  Cu  Cu0  2  0.0000  0.1810  0.9946  1.0
  Pd  Pd1  4  0.2460  0.6778  0.9978  1.0
  H  H2  4  0.2478  0.3304  0.1308  1.0
  H  H3  2  0.0000  0.1755  0.6312  1.0
  Pd  Pd4  2  0.0000  0.8274  0.4993  1.0
  H  H5  2  0.0000  0.8435  0.1328  1.0
]