data_[Be2H6Pd12]
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/m]
_cell_length_a [8.8389]
_cell_length_b [2.9331]
_cell_length_c [9.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Be(HPd2)3]
_chemical_formula_sum '[Be2 H6 Pd12]'
_cell_volume [217.1572]
_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  0.3720  0.7500  0.1004  1
  H  H1  2  0.0386  0.7500  0.1729  1
  Pd  Pd2  2  0.0521  0.7500  0.7711  1
  Pd  Pd3  2  0.1561  0.2500  0.5614  1
  Pd  Pd4  2  0.1586  0.2500  0.0686  1
  H  H5  2  0.2402  0.7500  0.6990  1
  Pd  Pd6  2  0.2710  0.7500  0.3561  1
  H  H7  2  0.3231  0.2500  0.4877  1
  Pd  Pd8  2  0.3576  0.2500  0.8969  1
  Pd  Pd9  2  0.4782  0.7500  0.6933  1
]