data_[Mg4H12Ir4]
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 [10.5951]
_cell_length_b [3.5807]
_cell_length_c [4.7227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgH3Ir]
_chemical_formula_sum '[Mg4 H12 Ir4]'
_cell_volume [179.1651]
_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  2  0.2376  0.5000  0.4095  1.0
  Mg  Mg1  2  0.4723  0.0000  0.8837  1.0
  H  H2  2  0.0081  0.5000  0.3780  1.0
  Ir  Ir3  2  0.0157  0.0000  0.3709  1.0
  H  H4  2  0.1712  0.0000  0.2319  1.0
  Ir  Ir5  2  0.1864  0.0000  0.8710  1.0
  H  H6  2  0.2044  0.5000  0.8878  1.0
  H  H7  2  0.2963  0.0000  0.6316  1.0
  H  H8  2  0.4008  0.5000  0.1359  1.0
  H  H9  2  0.4137  0.5000  0.6298  1.0
]