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 [C2]
_cell_length_a [9.6820]
_cell_length_b [5.6017]
_cell_length_c [4.8482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CuHPd3]
_chemical_formula_sum '[Cu4 H4 Pd12]'
_cell_volume [246.8620]
_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  0.0000  0.1307  0.0000  1.0
  Cu  Cu1  2  0.0000  0.8886  0.5000  1.0
  H  H2  4  0.1287  0.4045  0.2619  1.0
  Pd  Pd3  4  0.2454  0.1402  0.4902  1.0
  Pd  Pd4  4  0.2457  0.8948  0.9921  1.0
  Pd  Pd5  2  0.0000  0.3833  0.5000  1.0
  Pd  Pd6  2  0.0000  0.6501  0.0000  1.0
]