data_[Mg2H8I4O4]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8640]
_cell_length_b [9.2622]
_cell_length_c [4.2722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgH4(IO)2]
_chemical_formula_sum '[Mg2 H8 I4 O4]'
_cell_volume [338.6108]
_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  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.0807  0.2835  0.1341  1.0
  I  I2  4  0.2445  0.0000  0.6178  1.0
  O  O3  4  0.0000  0.2198  0.0000  1.0
]