data_[Cu4H4Pd4]
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 [9.7341]
_cell_length_b [2.8808]
_cell_length_c [4.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuHPd]
_chemical_formula_sum '[Cu4 H4 Pd4]'
_cell_volume [120.3583]
_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  0.1327  0.5000  0.8335  1.0
  Pd  Pd1  4  0.1114  0.0000  0.3226  1.0
  H  H2  4  0.2246  0.5000  0.2610  1.0
]