data_[Sn1P1H6C1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4975]
_cell_length_b [6.5240]
_cell_length_c [6.5433]
_cell_angle_alpha [88.7682]
_cell_angle_beta [84.2793]
_cell_angle_gamma [88.9228]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnPH6CI3]
_chemical_formula_sum '[Sn1 P1 H6 C1 I3]'
_cell_volume [275.8825]
_cell_formula_units_Z [1]
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  0.5115  0.5169  0.5127  1.0
  P  P1  1  0.1003  0.9949  0.0981  1.0
  H  H2  1  0.0702  0.1702  0.2220  1.0
  H  H3  1  0.0786  0.8193  0.2288  1.0
  H  H4  1  0.3030  0.9971  0.0015  1.0
  H  H5  1  0.7612  0.9922  0.9924  1.0
  H  H6  1  0.9363  0.1314  0.8119  1.0
  H  H7  1  0.9434  0.8553  0.8178  1.0
  C  C8  1  0.9174  0.9935  0.9111  1.0
  I  I9  1  0.4533  0.4983  0.9669  1.0
  I  I10  1  0.4950  0.9782  0.4711  1.0
  I  I11  1  0.9782  0.4928  0.4958  1.0
]