data_[Mg4H12Pd8]
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 [14.3454]
_cell_length_b [3.7223]
_cell_length_c [4.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgH3Pd2]
_chemical_formula_sum '[Mg4 H12 Pd8]'
_cell_volume [232.8259]
_cell_formula_units_Z [4]
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  4  0.1104  0.5000  0.2544  1.0
  H  H1  4  0.0487  0.0000  0.2204  1.0
  Pd  Pd2  4  0.0722  0.0000  0.7605  1.0
  H  H3  4  0.0871  0.5000  0.7531  1.0
  H  H4  4  0.2234  0.0000  0.6958  1.0
  Pd  Pd5  4  0.2315  0.5000  0.7510  1.0
]