data_[Ca8H8Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1283]
_cell_length_b [11.9111]
_cell_length_c [5.4002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaHPd3]
_chemical_formula_sum '[Ca8 H8 Pd24]'
_cell_volume [629.9202]
_cell_formula_units_Z [8]
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
[
  Ca  Ca0  8  0.1529  0.4030  0.6043  1
  Pd  Pd1  8  0.0926  0.1768  0.5023  1
  Pd  Pd2  8  0.1292  0.0524  0.9575  1
  Pd  Pd3  8  0.1533  0.3066  0.1033  1
  H  H4  4  0.0000  0.1538  0.7500  1
  H  H5  4  0.0000  0.2826  0.2500  1
]