data_[La2Be4H16Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [8.4327]
_cell_length_b [4.2952]
_cell_length_c [6.9544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBe2H8Pd]
_chemical_formula_sum '[La2 Be4 H16 Pd2]'
_cell_volume [227.2762]
_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
[
  La  La0  2  0.0000  0.0000  0.5000  1
  Be  Be1  4  0.0869  0.5000  0.2299  1
  H  H2  8  0.0505  0.2536  0.8401  1
  H  H3  4  0.1494  0.5000  0.4693  1
  H  H4  4  0.2386  0.5000  0.2001  1
  Pd  Pd5  2  0.0000  0.0000  0.0000  1
]