data_[Zn4H4Pd12]
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 [Cm]
_cell_length_a [5.9199]
_cell_length_b [5.9172]
_cell_length_c [7.7731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnHPd3]
_chemical_formula_sum '[Zn4 H4 Pd12]'
_cell_volume [252.8991]
_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  0.0696  0.2536  0.5920  1.0
  Pd  Pd1  4  0.3068  0.2539  0.0825  1.0
  Pd  Pd2  2  0.2039  0.0000  0.3667  1.0
  Pd  Pd3  2  0.2191  0.5000  0.3724  1.0
  H  H4  2  0.4044  0.0000  0.2217  1.0
  Pd  Pd5  2  0.4243  0.0000  0.8101  1.0
  Pd  Pd6  2  0.4258  0.5000  0.8083  1.0
  H  H7  2  0.4816  0.5000  0.0649  1.0
]