data_[Be2H4Pd12]
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 [P2_1/c]
_cell_length_a [4.9792]
_cell_length_b [5.2715]
_cell_length_c [9.1199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Be(HPd3)2]
_chemical_formula_sum '[Be2 H4 Pd12]'
_cell_volume [217.6786]
_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  0.5000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0432  0.1399  0.3568  1.0
  Pd  Pd2  4  0.2375  0.6399  0.4754  1.0
  H  H3  4  0.3309  0.5264  0.3120  1.0
  Pd  Pd4  4  0.3948  0.2273  0.6907  1.0
]