data_[Sn2H8I6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7331]
_cell_length_b [8.2098]
_cell_length_c [12.0512]
_cell_angle_alpha [91.4926]
_cell_angle_beta [90.5367]
_cell_angle_gamma [106.0546]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnH4I3N]
_chemical_formula_sum '[Sn2 H8 I6 N2]'
_cell_volume [449.8021]
_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
[
  Sn  Sn0  1  0.9842  0.0101  0.2616  1.0
  Sn  Sn1  1  0.9941  0.9831  0.7576  1.0
  H  H2  1  0.1172  0.4281  0.9429  1.0
  H  H3  1  0.1451  0.5967  0.0305  1.0
  H  H4  1  0.3083  0.4425  0.0654  1.0
  H  H5  1  0.4437  0.5802  0.9645  1.0
  H  H6  1  0.6063  0.4409  0.4260  1.0
  H  H7  1  0.6591  0.5482  0.5510  1.0
  H  H8  1  0.8348  0.3963  0.5196  1.0
  H  H9  1  0.9302  0.5842  0.4546  1.0
  I  I10  1  0.0656  0.1399  0.5077  1.0
  I  I11  1  0.3175  0.7434  0.3075  1.0
  I  I12  1  0.4146  0.7111  0.6975  1.0
  I  I13  1  0.5672  0.2817  0.2082  1.0
  I  I14  1  0.6785  0.2541  0.8128  1.0
  I  I15  1  0.9237  0.8556  0.0026  1.0
  N  N16  1  0.2528  0.5101  0.0010  1.0
  N  N17  1  0.7570  0.4934  0.4888  1.0
]