data_[Na8Li4Mg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4112]
_cell_length_b [23.5290]
_cell_length_c [13.9066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiMgI5]
_chemical_formula_sum '[Na8 Li4 Mg4 I20]'
_cell_volume [1443.3765]
_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
[
  Na  Na0  4  0.0000  0.1361  0.3365  1
  Na  Na1  4  0.0000  0.1750  0.6665  1
  Li  Li2  4  0.0000  0.2001  0.0481  1
  Mg  Mg3  4  0.0000  0.4430  0.4203  1
  I  I4  4  0.0000  0.0567  0.0421  1
  I  I5  4  0.0000  0.3069  0.6743  1
  I  I6  4  0.0000  0.3174  0.9989  1
  I  I7  4  0.0000  0.3374  0.3358  1
  I  I8  4  0.0000  0.4667  0.8014  1
]