data_[Mg2H2Pd6]
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 [Pm]
_cell_length_a [5.6094]
_cell_length_b [4.1474]
_cell_length_c [5.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgHPd3]
_chemical_formula_sum '[Mg2 H2 Pd6]'
_cell_volume [130.6375]
_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  1  0.4643  0.0000  0.6893  1.0
  Mg  Mg1  1  0.9584  0.0000  0.1944  1.0
  Pd  Pd2  1  0.1982  0.5000  0.9500  1.0
  Pd  Pd3  1  0.2133  0.5000  0.4501  1.0
  H  H4  1  0.4268  0.5000  0.7190  1.0
  Pd  Pd5  1  0.4600  0.0000  0.1930  1.0
  H  H6  1  0.4630  0.5000  0.2000  1.0
  Pd  Pd7  1  0.7055  0.5000  0.9354  1.0
  Pd  Pd8  1  0.7202  0.5000  0.4387  1.0
  Pd  Pd9  1  0.9602  0.0000  0.6934  1.0
]