data_[Mg2H6Ir8]
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 [Cm]
_cell_length_a [8.4092]
_cell_length_b [5.5636]
_cell_length_c [4.4004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgH3Ir4]
_chemical_formula_sum '[Mg2 H6 Ir8]'
_cell_volume [177.9069]
_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  2  0.4125  0.5000  0.6593  1
  Ir  Ir1  4  0.1061  0.2396  0.3191  1
  H  H2  4  0.1588  0.2856  0.7594  1
  H  H3  2  0.1657  0.5000  0.1582  1
  Ir  Ir4  2  0.2761  0.0000  0.9984  1
  Ir  Ir5  2  0.4545  0.0000  0.6678  1
]