data_[Ga2H6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [9.1667]
_cell_length_b [2.9264]
_cell_length_c [9.3797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ga(HPd2)3]
_chemical_formula_sum '[Ga2 H6 Pd12]'
_cell_volume [234.0061]
_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
[
  Ga  Ga0  2  0.3847  0.2500  0.1227  1.0
  H  H1  2  0.0415  0.2500  0.1766  1.0
  Pd  Pd2  2  0.0557  0.2500  0.7738  1.0
  H  H3  2  0.0581  0.2500  0.5845  1.0
  Pd  Pd4  2  0.1425  0.7500  0.0533  1.0
  Pd  Pd5  2  0.1618  0.7500  0.5553  1.0
  Pd  Pd6  2  0.2533  0.2500  0.3334  1.0
  H  H7  2  0.3260  0.7500  0.4708  1.0
  Pd  Pd8  2  0.3465  0.7500  0.8800  1.0
  Pd  Pd9  2  0.4575  0.2500  0.6443  1.0
]