data_[Mg4Sn4H24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  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 [7.2421]
_cell_length_b [12.6745]
_cell_length_c [4.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgSn(H3Ir)2]
_chemical_formula_sum '[Mg4 Sn4 H24 Ir8]'
_cell_volume [426.2571]
_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  4  0.0000  0.2779  0.2500  1.0
  Sn  Sn1  4  0.0000  0.0999  0.7500  1.0
  H  H2  8  0.0550  0.3983  0.5259  1.0
  H  H3  8  0.1809  0.4860  0.8668  1.0
  Ir  Ir4  8  0.2156  0.0863  0.3722  1.0
  H  H5  8  0.2428  0.1903  0.1856  1.0
]