data_[Ca2H8Pd10]
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 [Pmmn]
_cell_length_a [5.8465]
_cell_length_b [8.4223]
_cell_length_c [4.7646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CaH4Pd5]
_chemical_formula_sum '[Ca2 H8 Pd10]'
_cell_volume [234.6132]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.7657  1.0
  Pd  Pd1  8  0.2446  0.3306  0.7537  1.0
  H  H2  4  0.0000  0.2793  0.1087  1.0
  H  H3  4  0.1827  0.5000  0.5471  1.0
  Pd  Pd4  2  0.0000  0.5000  0.2322  1.0
]