data_[Be4H2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [13.5565]
_cell_length_b [4.2731]
_cell_length_c [5.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2HPd8]
_chemical_formula_sum '[Be4 H2 Pd16]'
_cell_volume [291.1905]
_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
[
  Be  Be0  4  0.1642  0.0000  0.6505  1
  Pd  Pd1  4  0.0341  0.0000  0.2796  1
  Pd  Pd2  4  0.0882  0.5000  0.8191  1
  Pd  Pd3  4  0.1704  0.5000  0.3901  1
  Pd  Pd4  4  0.2035  0.0000  0.0946  1
  H  H5  2  0.0000  0.5000  0.0000  1
]