data_[Na4H2S2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2075]
_cell_length_b [4.5144]
_cell_length_c [7.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na2HSI]
_chemical_formula_sum '[Na4 H2 S2 I2]'
_cell_volume [240.2246]
_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  0.2005  0.2500  0.4720  1
  Na  Na1  2  0.2043  0.7500  0.9950  1
  H  H2  2  0.2030  0.2500  0.8106  1
  S  S3  2  0.0012  0.2500  0.7507  1
  I  I4  2  0.4974  0.7500  0.7488  1
]