data_[Pa1Be2H8Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  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 [P-3m1]
_cell_length_a [4.3945]
_cell_length_b [4.3945]
_cell_length_c [6.6752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PaBe2H8Pd]
_chemical_formula_sum '[Pa1 Be2 H8 Pd1]'
_cell_volume [111.6367]
_cell_formula_units_Z [1]
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
[
  Pa  Pa0  1  0.0000  0.0000  0.5000  1
  Be  Be1  2  0.3333  0.6667  0.7302  1
  H  H2  6  0.1530  0.3059  0.7853  1
  H  H3  2  0.3333  0.6667  0.4984  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
]