data_[Mg2H12Ir6]
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 [13.4985]
_cell_length_b [2.9048]
_cell_length_c [4.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg(H2Ir)3]
_chemical_formula_sum '[Mg2 H12 Ir6]'
_cell_volume [172.8761]
_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  0.1187  0.5000  0.0311  1
  Ir  Ir1  2  0.0078  0.0000  0.3728  1
  H  H2  2  0.0629  0.5000  0.5608  1
  H  H3  2  0.1294  0.0000  0.3972  1
  H  H4  2  0.2134  0.0000  0.8677  1
  H  H5  2  0.2651  0.5000  0.3796  1
  Ir  Ir6  2  0.3081  0.0000  0.1698  1
  Ir  Ir7  2  0.3633  0.5000  0.7372  1
  H  H8  2  0.4248  0.0000  0.6631  1
  H  H9  2  0.4897  0.5000  0.9833  1
]