data_[Mg1Ni1H6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6626]
_cell_length_b [4.7455]
_cell_length_c [4.8449]
_cell_angle_alpha [65.1757]
_cell_angle_beta [88.7924]
_cell_angle_gamma [61.0147]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgNi(H3Pd)2]
_chemical_formula_sum '[Mg1 Ni1 H6 Pd2]'
_cell_volume [82.8325]
_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  0.5468  0.9088  0.6330  1
  Ni  Ni1  1  0.9620  0.0494  0.9122  1
  H  H2  1  0.0068  0.3919  0.6727  1
  H  H3  1  0.0420  0.6331  0.1561  1
  H  H4  1  0.1285  0.8418  0.7098  1
  H  H5  1  0.2973  0.9390  0.1632  1
  Pd  Pd6  1  0.3087  0.3607  0.9636  1
  H  H7  1  0.5883  0.3213  0.6554  1
  Pd  Pd8  1  0.7182  0.5329  0.2867  1
  H  H9  1  0.7384  0.2066  0.1496  1
]