data_[Na8Mg4Ag4I20]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4239]
_cell_length_b [19.1427]
_cell_length_c [16.0408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2MgAgI5]
_chemical_formula_sum '[Na8 Mg4 Ag4 I20]'
_cell_volume [1358.4301]
_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  0.0801  0.6535  1.0
  Na  Na1  4  0.0000  0.0878  0.3678  1.0
  Mg  Mg2  4  0.0000  0.2451  0.0272  1.0
  Ag  Ag3  4  0.0000  0.4109  0.4165  1.0
  I  I4  4  0.0000  0.0917  0.0305  1.0
  I  I5  4  0.0000  0.2479  0.6500  1.0
  I  I6  4  0.0000  0.2566  0.3945  1.0
  I  I7  4  0.0000  0.3987  0.0117  1.0
  I  I8  4  0.0000  0.4937  0.2722  1.0
]