data_[Na2Sn2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2907]
_cell_length_b [4.3773]
_cell_length_c [12.0816]
_cell_angle_alpha [98.0830]
_cell_angle_beta [95.6531]
_cell_angle_gamma [90.5763]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaSnI]
_chemical_formula_sum '[Na2 Sn2 I2]'
_cell_volume [223.5037]
_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  0.2851  0.3009  0.1229  1
  Sn  Sn1  2  0.2566  0.2609  0.5132  1
  I  I2  2  0.2073  0.1888  0.8499  1
]