data_[Mg1H4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8890]
_cell_length_b [7.5479]
_cell_length_c [7.7005]
_cell_angle_alpha [65.8227]
_cell_angle_beta [89.7394]
_cell_angle_gamma [79.0641]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg(HPd2)4]
_chemical_formula_sum '[Mg1 H4 Pd8]'
_cell_volume [149.9039]
_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
[
  Mg  Mg0  1  0.5000  0.0000  0.5000  1
  Pd  Pd1  2  0.0130  0.9703  0.8248  1
  H  H2  2  0.1452  0.7057  0.9392  1
  Pd  Pd3  2  0.1634  0.6716  0.4985  1
  H  H4  2  0.2168  0.5340  0.3111  1
  Pd  Pd5  2  0.3192  0.3651  0.1742  1
  Pd  Pd6  2  0.3540  0.2918  0.8325  1
]