data_[Mg2H12Pd10]
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 [C2/m]
_cell_length_a [5.3153]
_cell_length_b [8.7201]
_cell_length_c [5.2140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgH6Pd5]
_chemical_formula_sum '[Mg2 H12 Pd10]'
_cell_volume [221.3371]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.1831  0.3128  0.7632  1.0
  Pd  Pd2  4  0.0000  0.1612  0.5000  1.0
  Pd  Pd3  4  0.0000  0.3284  0.0000  1.0
  H  H4  4  0.2478  0.5000  0.3188  1.0
  Pd  Pd5  2  0.0000  0.5000  0.5000  1.0
]