data_[Zn4H8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [14.9699]
_cell_length_b [2.8849]
_cell_length_c [6.5103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnH2Pd3]
_chemical_formula_sum '[Zn4 H8 Pd12]'
_cell_volume [281.1447]
_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
[
  Zn  Zn0  4  0.1594  0.5000  0.9972  1.0
  H  H1  4  0.0063  0.0000  0.7939  1.0
  Pd  Pd2  4  0.0525  0.5000  0.3116  1.0
  Pd  Pd3  4  0.1140  0.0000  0.6827  1.0
  H  H4  4  0.1618  0.5000  0.4527  1.0
  Pd  Pd5  4  0.2203  0.0000  0.3105  1.0
]