data_[Mg8H4Ir4]
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 [C2/c]
_cell_length_a [8.7634]
_cell_length_b [6.2835]
_cell_length_c [6.0329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.1672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2HIr]
_chemical_formula_sum '[Mg8 H4 Ir4]'
_cell_volume [246.2224]
_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  8  0.2228  0.2805  0.7317  1
  Ir  Ir1  4  0.0000  0.0080  0.2500  1
  H  H2  4  0.0000  0.2714  0.2500  1
]