data_[Mg2H6Ir1Pd1]
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
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9291]
_cell_length_b [5.0061]
_cell_length_c [5.0367]
_cell_angle_alpha [61.5532]
_cell_angle_beta [61.0101]
_cell_angle_gamma [60.9962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2H6IrPd]
_chemical_formula_sum '[Mg2 H6 Ir1 Pd1]'
_cell_volume [90.2227]
_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  2  0.2444  0.2478  0.2512  1.0
  H  H1  2  0.1843  0.7808  0.2966  1.0
  H  H2  2  0.2090  0.2755  0.8169  1.0
  H  H3  2  0.3166  0.7644  0.7581  1.0
  Ir  Ir4  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd5  1  0.5000  0.5000  0.5000  1.0
]