data_[Be2H10Pd16]
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 [I-4]
_cell_length_a [6.8546]
_cell_length_b [6.8546]
_cell_length_c [6.2357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BeH5Pd8]
_chemical_formula_sum '[Be2 H10 Pd16]'
_cell_volume [292.9913]
_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  2  0.0000  0.5000  0.7500  1.0
  Pd  Pd1  8  0.0314  0.7225  0.4062  1.0
  Pd  Pd2  8  0.0437  0.7926  0.8534  1.0
  H  H3  8  0.1303  0.7266  0.1226  1.0
  H  H4  2  0.0000  0.0000  0.5000  1.0
]