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/m]
_cell_length_a [13.8931]
_cell_length_b [2.7552]
_cell_length_c [6.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuHPd3]
_chemical_formula_sum '[Cu4 H4 Pd12]'
_cell_volume [248.9437]
_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  4  0.2167  0.0000  0.8269  1.0
  Pd  Pd1  4  0.0305  0.0000  0.7046  1.0
  H  H2  4  0.0762  0.5000  0.3346  1.0
  Pd  Pd3  4  0.1014  0.5000  0.0515  1.0
  Pd  Pd4  4  0.1695  0.0000  0.4179  1.0
]