data_[Mg8H6Ir2]
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 [11.9931]
_cell_length_b [3.0864]
_cell_length_c [7.6608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg4H3Ir]
_chemical_formula_sum '[Mg8 H6 Ir2]'
_cell_volume [222.5698]
_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  0.1551  0.0000  0.8028  1
  Mg  Mg1  2  0.1892  0.5000  0.2021  1
  Mg  Mg2  2  0.3848  0.5000  0.7665  1
  Mg  Mg3  2  0.4450  0.5000  0.2333  1
  H  H4  2  0.0330  0.5000  0.1988  1
  H  H5  2  0.0638  0.5000  0.5294  1
  H  H6  2  0.2635  0.0000  0.4807  1
  Ir  Ir7  2  0.4150  0.0000  0.5052  1
]