data_[Cu4H4Pd12]
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 [Cm]
_cell_length_a [9.6948]
_cell_length_b [5.5829]
_cell_length_c [4.8193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuHPd3]
_chemical_formula_sum '[Cu4 H4 Pd12]'
_cell_volume [246.0200]
_cell_formula_units_Z [4]
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  0.0835  0.5000  0.3273  1.0
  Cu  Cu1  2  0.3316  0.5000  0.8311  1.0
  Pd  Pd2  4  0.0861  0.2573  0.8248  1.0
  Pd  Pd3  4  0.3321  0.2537  0.3347  1.0
  Pd  Pd4  2  0.0813  0.0000  0.3191  1.0
  H  H5  2  0.2139  0.0000  0.0831  1.0
  Pd  Pd6  2  0.3404  0.0000  0.8399  1.0
  H  H7  2  0.4599  0.5000  0.5631  1.0
]