data_[Sn2S6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6945]
_cell_length_b [3.9161]
_cell_length_c [10.0736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnS3]
_chemical_formula_sum '[Sn2 S6]'
_cell_volume [221.6446]
_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  2  0.2305  0.7500  0.3836  1.0
  S  S1  2  0.2692  0.2500  0.5597  1.0
  S  S2  2  0.3244  0.7500  0.8909  1.0
  S  S3  2  0.3381  0.2500  0.0847  1.0
]