data_[Sn4S2I2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.5728]
_cell_length_b [6.8916]
_cell_length_c [6.9091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sn2SICl]
_chemical_formula_sum '[Sn4 S2 I2 Cl2]'
_cell_volume [329.7532]
_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  4  0.2323  0.3110  0.0941  1
  S  S1  2  0.0000  0.4952  0.2500  1
  I  I2  2  0.5000  0.2899  0.7500  1
  Cl  Cl3  2  0.0000  0.0000  0.0000  1
]