data_[Na2As4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5285]
_cell_length_b [11.8745]
_cell_length_c [7.1618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(AsI4)2]
_chemical_formula_sum '[Na2 As4 I16]'
_cell_volume [1211.0248]
_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  2  0.0000  0.0000  0.0000  1.0
  As  As1  4  0.2082  0.0000  0.6991  1.0
  I  I2  8  0.1105  0.1788  0.7831  1.0
  I  I3  4  0.1086  0.5000  0.0995  1.0
  I  I4  4  0.2062  0.0000  0.3252  1.0
]