data_[Mg4H8Ir8]
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 [Cc]
_cell_length_a [7.7344]
_cell_length_b [7.3387]
_cell_length_c [5.4395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Mg(HIr)2]
_chemical_formula_sum '[Mg4 H8 Ir8]'
_cell_volume [221.3345]
_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  0.2546  0.3468  0.3968  1
  Ir  Ir1  4  0.1623  0.0159  0.0188  1
  H  H2  4  0.3883  0.3972  0.1784  1
  Ir  Ir3  4  0.4802  0.2128  0.0545  1
  H  H4  4  0.4957  0.0227  0.8923  1
]