data_[Na4In4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4887]
_cell_length_b [13.3545]
_cell_length_c [7.7131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2In2I7]
_chemical_formula_sum '[Na4 In4 I14]'
_cell_volume [1122.6985]
_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  0.3057  0.0000  1
  In  In1  4  0.2228  0.0000  0.3989  1
  I  I2  8  0.2378  0.1725  0.1918  1
  I  I3  4  0.0800  0.5000  0.2630  1
  I  I4  2  0.0000  0.0000  0.5000  1
]