data_[Mg24H8Ir4]
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
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3616]
_cell_length_b [6.9524]
_cell_length_c [14.0085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Mg6H2Ir]
_chemical_formula_sum '[Mg24 H8 Ir4]'
_cell_volume [619.5672]
_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  16  0.2500  0.2500  0.1030  1
  Mg  Mg1  8  0.0000  0.0000  0.2364  1
  H  H2  8  0.2352  0.0000  0.5000  1
  Ir  Ir3  4  0.0000  0.0000  0.0000  1
]