data_[Na4Mg4I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  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 [5.4496]
_cell_length_b [9.2559]
_cell_length_c [5.9057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Mg2IO6]
_chemical_formula_sum '[Na4 Mg4 I2 O12]'
_cell_volume [281.9995]
_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
[
  Na  Na0  4  0.0000  0.1737  0.0000  1.0
  Mg  Mg1  4  0.0000  0.3357  0.5000  1.0
  I  I2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.2213  0.1624  0.6950  1.0
  O  O4  4  0.2464  0.0000  0.3062  1.0
]